3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one

C24H20N4O6 — CID 6435970

IUPAC3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1cc(OC)c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cn2)c(OC)c1
InChIInChI=1S/C24H20N4O6/c1-32-16-12-20(33-2)18(21(13-16)34-3)9-11-23-26-19-7-5-4-6-17(19)24(29)27(23)22-10-8-15(14-25-22)28(30)31/h4-14H,1-3H3/b11-9+
InChIKeyLHZJPDNFXXMMPR-PKNBQFBNSA-N
MW460.45 g/mol
LogP3.89
Rot. Bonds7

About 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one

3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 6435970) has the molecular formula C24H20N4O6 and a molecular weight of 460.45 g/mol. Its IUPAC name is 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one
PubChem CID6435970
Molecular FormulaC24H20N4O6
Molecular Weight460.45 g/mol
Exact Mass460.14
IUPAC Name3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1cc(OC)c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cn2)c(OC)c1
InChIInChI=1S/C24H20N4O6/c1-32-16-12-20(33-2)18(21(13-16)34-3)9-11-23-26-19-7-5-4-6-17(19)24(29)27(23)22-10-8-15(14-25-22)28(30)31/h4-14H,1-3H3/b11-9+
InChIKeyLHZJPDNFXXMMPR-PKNBQFBNSA-N
XLogP3.89
TPSA118.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-(5-nitro-2-pyridinyl)quinazolin-4-one
CID 135573301
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2880243
3-[2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl]-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 15217170
6-bromo-3-(2-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 2981193
3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2880252
3-(2-methoxyphenyl)-2-[(Z)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5345957
3-(2-fluorophenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 15994969
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 3628212
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 4271756
2-[(E)-2-naphthalen-1-ylethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 5366941
2-[2-(4-bromophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2829077
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one (CID 6435970) is 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one is COc1cc(OC)c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cn2)c(OC)c1.
What is the InChIKey of 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is LHZJPDNFXXMMPR-PKNBQFBNSA-N. The full InChI is InChI=1S/C24H20N4O6/c1-32-16-12-20(33-2)18(21(13-16)34-3)9-11-23-26-19-7-5-4-6-17(19)24(29)27(23)22-10-8-15(14-25-22)28(30)31/h4-14H,1-3H3/b11-9+.
What are the key properties of 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one?
3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 460.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitro-2-pyridinyl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 6435970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).