benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine

C245H271N43 — CID 158490962

IUPACbenzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine
SMILESC1=CCN2C=CC=CC2=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1cncnc12.c1ccc2c(c1)ccc1nccnc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2cc3nccnc3cc2c1.c1ccc2cc3ncncc3cc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2cccnc2c1.c1cnc2cncnc2c1.c1cnc2ncccc2c1.c1cnc2nccnc2c1.c1cnc2ncncc2c1
InChIInChI=1S/3C13H9N.6C12H8N2.C9H9N.6C8H6N2.5C7H5N3.21C2H6/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-10-6-12-11(5-9(10)3-1)7-13-8-14-12;1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-4-11-9(3-1)5-6-10-7-13-8-14-12(10)11;1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11;1-3-7-10-8-4-2-6-9(10)5-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-6-7(9-3-1)10-5-4-8-6;21*1-2/h3*1-9H;6*1-8H;1-7H,8H2;6*1-6H;5*1-5H;21*1-2H3
InChIKeyHIRNUHQGVODVOW-UHFFFAOYSA-N
MW3818.16 g/mol
LogP65.14
Rot. Bonds

About benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine

benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine (PubChem CID 158490962) has the molecular formula C245H271N43 and a molecular weight of 3818.16 g/mol. Its IUPAC name is benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine.

Molecular Properties

Compound Namebenzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine
PubChem CID158490962
Molecular FormulaC245H271N43
Molecular Weight3818.16 g/mol
Exact Mass3815.25
IUPAC Namebenzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine
SMILESC1=CCN2C=CC=CC2=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1cncnc12.c1ccc2c(c1)ccc1nccnc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2cc3nccnc3cc2c1.c1ccc2cc3ncncc3cc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2cccnc2c1.c1cnc2cncnc2c1.c1cnc2ncccc2c1.c1cnc2nccnc2c1.c1cnc2ncncc2c1
InChIInChI=1S/3C13H9N.6C12H8N2.C9H9N.6C8H6N2.5C7H5N3.21C2H6/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-10-6-12-11(5-9(10)3-1)7-13-8-14-12;1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-4-11-9(3-1)5-6-10-7-13-8-14-12(10)11;1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11;1-3-7-10-8-4-2-6-9(10)5-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-6-7(9-3-1)10-5-4-8-6;21*1-2/h3*1-9H;6*1-8H;1-7H,8H2;6*1-6H;5*1-5H;21*1-2H3
InChIKeyHIRNUHQGVODVOW-UHFFFAOYSA-N
XLogP65.14
TPSA544.62 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003818.16
LogP ≤ 565.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine?
The IUPAC name of benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine (CID 158490962) is benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine.
What is the SMILES notation for benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine?
The canonical SMILES for benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine is C1=CCN2C=CC=CC2=C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2c(c1)ccc1cccnc12.c1ccc2c(c1)ccc1cncnc12.c1ccc2c(c1)ccc1nccnc12.c1ccc2c(c1)cnc1ccccc12.c1ccc2cc3ncccc3cc2c1.c1ccc2cc3nccnc3cc2c1.c1ccc2cc3ncncc3cc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2cccnc2c1.c1cnc2cncnc2c1.c1cnc2ncccc2c1.c1cnc2nccnc2c1.c1cnc2ncncc2c1.
What is the InChIKey of benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine?
The InChIKey is HIRNUHQGVODVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H9N.6C12H8N2.C9H9N.6C8H6N2.5C7H5N3.21C2H6/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-10-6-12-11(5-9(10)3-1)7-13-8-14-12;1-2-4-10-8-12-11(7-9(10)3-1)13-5-6-14-12;1-2-4-11-9(3-1)5-6-10-7-13-8-14-12(10)11;1-2-4-10-9(3-1)5-6-11-12(10)14-8-7-13-11;1-3-7-10-8-4-2-6-9(10)5-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-6-7(9-3-1)10-5-4-8-6;21*1-2/h3*1-9H;6*1-8H;1-7H,8H2;6*1-6H;5*1-5H;21*1-2H3.
What are the key properties of benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine?
benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine has a molecular weight of 3818.16 g/mol, XLogP of 65.14, 0 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinoxaline;benzo[g]quinazoline;benzo[g]quinoline;benzo[g]quinoxaline;benzo[h]quinazoline;benzo[h]quinoline;ethane;1,5-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phenanthridine;1,10-phenanthroline;phenazine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;4H-quinolizine is sourced from PubChem (CID 158490962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).