(8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one

C19H14ClN7O — CID 135968778

IUPAC(8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
SMILESCc1nn(-c2ccccc2)c(=O)c2c1[C@@H](c1ccc(Cl)cc1)n1nnnc1N2
InChIInChI=1S/C19H14ClN7O/c1-11-15-16(18(28)26(23-11)14-5-3-2-4-6-14)21-19-22-24-25-27(19)17(15)12-7-9-13(20)10-8-12/h2-10,17H,1H3,(H,21,22,25)/t17-/m1/s1
InChIKeyUHVPILZQNCDKSG-QGZVFWFLSA-N
MW391.82 g/mol
LogP2.88
Rot. Bonds2

About (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one

(8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one (PubChem CID 135968778) has the molecular formula C19H14ClN7O and a molecular weight of 391.82 g/mol. Its IUPAC name is (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one.

Molecular Properties

Compound Name(8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
PubChem CID135968778
Molecular FormulaC19H14ClN7O
Molecular Weight391.82 g/mol
Exact Mass391.09
IUPAC Name(8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
SMILESCc1nn(-c2ccccc2)c(=O)c2c1[C@@H](c1ccc(Cl)cc1)n1nnnc1N2
InChIInChI=1S/C19H14ClN7O/c1-11-15-16(18(28)26(23-11)14-5-3-2-4-6-14)21-19-22-24-25-27(19)17(15)12-7-9-13(20)10-8-12/h2-10,17H,1H3,(H,21,22,25)/t17-/m1/s1
InChIKeyUHVPILZQNCDKSG-QGZVFWFLSA-N
XLogP2.88
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one with MolForge

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Related Compounds

(8R)-10-(4-chlorophenyl)-8-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 136831122
(9R)-9-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6,6-dimethyl-4,5,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one
CID 135680116
(8S)-8-(4-bromophenyl)-10-methyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 137145793
(8R)-10-(4-chlorophenyl)-8-(4-hydroxyphenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 137157671
(7R)-N-benzyl-7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136743232
(7S)-N-benzyl-7-(4-chlorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845428
(8R)-8-(4-tert-butylphenyl)-10-(4-chlorophenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 136822637
(7R)-N-(4-chlorophenyl)-5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136728526
(8S)-10-(4-chlorophenyl)-8-(4-methoxyphenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 135957215
8-(4-chlorophenyl)-12-thia-2,4,5,6,7-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5-trien-10-one
CID 141278456
(7R)-7-(4-chlorophenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 993218
10-(4-chlorophenyl)-8-(4-ethoxyphenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 135715416

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one?
The IUPAC name of (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one (CID 135968778) is (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one.
What is the SMILES notation for (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one?
The canonical SMILES for (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one is Cc1nn(-c2ccccc2)c(=O)c2c1[C@@H](c1ccc(Cl)cc1)n1nnnc1N2.
What is the InChIKey of (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one?
The InChIKey is UHVPILZQNCDKSG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H14ClN7O/c1-11-15-16(18(28)26(23-11)14-5-3-2-4-6-14)21-19-22-24-25-27(19)17(15)12-7-9-13(20)10-8-12/h2-10,17H,1H3,(H,21,22,25)/t17-/m1/s1.
What are the key properties of (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one?
(8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one has a molecular weight of 391.82 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-chlorophenyl)-10-methyl-12-phenyl-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one is sourced from PubChem (CID 135968778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).