2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide

C24H20N4O4 — CID 30867420

IUPAC2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide
SMILESCc1ccc(-n2c(C)nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3c2=O)cc1
InChIInChI=1S/C24H20N4O4/c1-14-7-10-18(11-8-14)27-16(3)25-21-12-9-17(13-20(21)24(27)30)26-23(29)19-5-4-6-22(15(19)2)28(31)32/h4-13H,1-3H3,(H,26,29)
InChIKeyFYDWYCKQQIARAC-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.47
Rot. Bonds4

About 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide

2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide (PubChem CID 30867420) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide
PubChem CID30867420
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide
SMILESCc1ccc(-n2c(C)nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3c2=O)cc1
InChIInChI=1S/C24H20N4O4/c1-14-7-10-18(11-8-14)27-16(3)25-21-12-9-17(13-20(21)24(27)30)26-23(29)19-5-4-6-22(15(19)2)28(31)32/h4-13H,1-3H3,(H,26,29)
InChIKeyFYDWYCKQQIARAC-UHFFFAOYSA-N
XLogP4.47
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-nitrobenzamide
CID 7294909
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-nitrobenzamide
CID 7294862
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-methyl-3-nitrobenzamide
CID 43988521
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 30867406
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]-2-methyl-3-nitrobenzamide
CID 26842235
N-(3,4-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 5187625
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
2-methyl-3-nitro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960700
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide
CID 30867464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide?
The IUPAC name of 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide (CID 30867420) is 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide?
The canonical SMILES for 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide is Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3c2=O)cc1.
What is the InChIKey of 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide?
The InChIKey is FYDWYCKQQIARAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-14-7-10-18(11-8-14)27-16(3)25-21-12-9-17(13-20(21)24(27)30)26-23(29)19-5-4-6-22(15(19)2)28(31)32/h4-13H,1-3H3,(H,26,29).
What are the key properties of 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide?
2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide has a molecular weight of 428.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide is sourced from PubChem (CID 30867420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).