(6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C27H26Cl2FN3O — CID 5189183

IUPAC(6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)C12CCC(C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C27H26Cl2FN3O/c1-14-5-6-15-11-16(30)7-8-21(15)33(14)24(34)27-10-9-26(4,25(27,2)3)22-23(27)32-20-13-18(29)17(28)12-19(20)31-22/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyCVRYVLDELRWXJK-UHFFFAOYSA-N
MW498.43 g/mol
LogP6.77
Rot. Bonds1

About (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 5189183) has the molecular formula C27H26Cl2FN3O and a molecular weight of 498.43 g/mol. Its IUPAC name is (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID5189183
Molecular FormulaC27H26Cl2FN3O
Molecular Weight498.43 g/mol
Exact Mass497.14
IUPAC Name(6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)C12CCC(C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C27H26Cl2FN3O/c1-14-5-6-15-11-16(30)7-8-21(15)33(14)24(34)27-10-9-26(4,25(27,2)3)22-23(27)32-20-13-18(29)17(28)12-19(20)31-22/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyCVRYVLDELRWXJK-UHFFFAOYSA-N
XLogP6.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.43
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 5189183) is (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1CCc2cc(F)ccc2N1C(=O)C12CCC(C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.
What is the InChIKey of (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is CVRYVLDELRWXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2FN3O/c1-14-5-6-15-11-16(30)7-8-21(15)33(14)24(34)27-10-9-26(4,25(27,2)3)22-23(27)32-20-13-18(29)17(28)12-19(20)31-22/h7-8,11-14H,5-6,9-10H2,1-4H3.
What are the key properties of (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 498.43 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaen-1-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 5189183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).