2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one

C24H16N4O4 — CID 11133653

IUPAC2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one
SMILESCOc1ccc(-c2nc3c(ccc4ncccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H16N4O4/c1-32-18-10-4-15(5-11-18)23-26-22-19-3-2-14-25-21(19)13-12-20(22)24(29)27(23)16-6-8-17(9-7-16)28(30)31/h2-14H,1H3
InChIKeyQWZNNESLRGBEKS-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one

2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one (PubChem CID 11133653) has the molecular formula C24H16N4O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one
PubChem CID11133653
Molecular FormulaC24H16N4O4
Molecular Weight424.42 g/mol
Exact Mass424.12
IUPAC Name2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one
SMILESCOc1ccc(-c2nc3c(ccc4ncccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H16N4O4/c1-32-18-10-4-15(5-11-18)23-26-22-19-3-2-14-25-21(19)13-12-20(22)24(29)27(23)16-6-8-17(9-7-16)28(30)31/h2-14H,1H3
InChIKeyQWZNNESLRGBEKS-UHFFFAOYSA-N
XLogP4.52
TPSA100.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one
CID 90967896
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
2-[4-(2-chloroethoxy)phenyl]-8-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 15870882
2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one
CID 10870421
3-(4-methoxyphenyl)-4-(4-nitrophenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine
CID 98172711
2-[(2S)-butan-2-yl]-3-(4-methoxyphenyl)-6-nitroquinazolin-4-one
CID 167631172
1-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrrole-2,5-diol
CID 91899191
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
5-(4-methoxyphenyl)-4-[C-methyl-N-(3-methyl-2-pyridinyl)carbonimidoyl]-2-(4-nitrophenyl)-1H-pyrazol-3-one
CID 137025218
3-(4-methoxyphenyl)-2-methyl-1-[(4-nitrophenyl)methyl]quinazolin-1-ium-4-one perchlorate
CID 24845743

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one (CID 11133653) is 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one is COc1ccc(-c2nc3c(ccc4ncccc43)c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one?
The InChIKey is QWZNNESLRGBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O4/c1-32-18-10-4-15(5-11-18)23-26-22-19-3-2-14-25-21(19)13-12-20(22)24(29)27(23)16-6-8-17(9-7-16)28(30)31/h2-14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one?
2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one has a molecular weight of 424.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one is sourced from PubChem (CID 11133653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).