7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one

C18H16ClN3O — CID 143519855

IUPAC7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one
SMILESCN1C=Nc2c(ccc3c2NC(=O)CC3c2cccc(Cl)c2)C1
InChIInChI=1S/C18H16ClN3O/c1-22-9-12-5-6-14-15(11-3-2-4-13(19)7-11)8-16(23)21-18(14)17(12)20-10-22/h2-7,10,15H,8-9H2,1H3,(H,21,23)
InChIKeyZKTJFEYMSSEKJV-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.92
Rot. Bonds1

About 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one

7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one (PubChem CID 143519855) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one
PubChem CID143519855
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one
SMILESCN1C=Nc2c(ccc3c2NC(=O)CC3c2cccc(Cl)c2)C1
InChIInChI=1S/C18H16ClN3O/c1-22-9-12-5-6-14-15(11-3-2-4-13(19)7-11)8-16(23)21-18(14)17(12)20-10-22/h2-7,10,15H,8-9H2,1H3,(H,21,23)
InChIKeyZKTJFEYMSSEKJV-UHFFFAOYSA-N
XLogP3.92
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3-chlorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 673218
(4S)-4-(3-chlorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789587
9-(3-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3158473
(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833222
2-methoxyethyl (4S)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7297665
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53032368
(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055175
6-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-7,9-dihydro-6H-triazolo[4,5-h]quinolin-8-one
CID 169413711
(4-methylphenyl)methyl (4R)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40645278
7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one
CID 14909742
(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833167

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one?
The IUPAC name of 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one (CID 143519855) is 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one.
What is the SMILES notation for 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one?
The canonical SMILES for 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one is CN1C=Nc2c(ccc3c2NC(=O)CC3c2cccc(Cl)c2)C1.
What is the InChIKey of 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one?
The InChIKey is ZKTJFEYMSSEKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-22-9-12-5-6-14-15(11-3-2-4-13(19)7-11)8-16(23)21-18(14)17(12)20-10-22/h2-7,10,15H,8-9H2,1H3,(H,21,23).
What are the key properties of 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one?
7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one has a molecular weight of 325.80 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-3-methyl-4,7,8,10-tetrahydropyrido[3,2-h]quinazolin-9-one is sourced from PubChem (CID 143519855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).