6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline

C47H37N13 — CID 158662308

IUPAC6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline
SMILESC1=c2cccnc2=CNC1.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1cnc2ccncc2c1
InChIInChI=1S/C9H7N.C8H6N2.C8H8N2.C8H6N2.2C7H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7/h1-7H;1-6H;1-4,6,9H,5H2;1-6H;2*1-5H
InChIKeyICXGPRBTLLSWDT-UHFFFAOYSA-N
MW783.90 g/mol
LogP6.75
Rot. Bonds

About 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline

6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline (PubChem CID 158662308) has the molecular formula C47H37N13 and a molecular weight of 783.90 g/mol. Its IUPAC name is 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline.

Molecular Properties

Compound Name6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline
PubChem CID158662308
Molecular FormulaC47H37N13
Molecular Weight783.90 g/mol
Exact Mass783.33
IUPAC Name6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline
SMILESC1=c2cccnc2=CNC1.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1cnc2ccncc2c1
InChIInChI=1S/C9H7N.C8H6N2.C8H8N2.C8H6N2.2C7H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7/h1-7H;1-6H;1-4,6,9H,5H2;1-6H;2*1-5H
InChIKeyICXGPRBTLLSWDT-UHFFFAOYSA-N
XLogP6.75
TPSA166.71 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.90
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline?
The IUPAC name of 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline (CID 158662308) is 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline.
What is the SMILES notation for 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline?
The canonical SMILES for 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline is C1=c2cccnc2=CNC1.c1cc2cncnc2cn1.c1cc2ncncc2cn1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1cnc2ccncc2c1.
What is the InChIKey of 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline?
The InChIKey is ICXGPRBTLLSWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N2.C8H8N2.C8H6N2.2C7H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7/h1-7H;1-6H;1-4,6,9H,5H2;1-6H;2*1-5H.
What are the key properties of 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline?
6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline has a molecular weight of 783.90 g/mol, XLogP of 6.75, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-1,7-naphthyridine;1,6-naphthyridine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;quinazoline;quinoline is sourced from PubChem (CID 158662308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).