2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide

C27H28N4O2 — CID 53052524

IUPAC2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide
SMILESCCN(CC)c1nc2cc(C(=O)Nc3ccccc3)ccc2c(=O)n1Cc1ccc(C)cc1
InChIInChI=1S/C27H28N4O2/c1-4-30(5-2)27-29-24-17-21(25(32)28-22-9-7-6-8-10-22)15-16-23(24)26(33)31(27)18-20-13-11-19(3)12-14-20/h6-17H,4-5,18H2,1-3H3,(H,28,32)
InChIKeyDDYVSKLODWRKCN-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.85
Rot. Bonds7

About 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide

2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide (PubChem CID 53052524) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide
PubChem CID53052524
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide
SMILESCCN(CC)c1nc2cc(C(=O)Nc3ccccc3)ccc2c(=O)n1Cc1ccc(C)cc1
InChIInChI=1S/C27H28N4O2/c1-4-30(5-2)27-29-24-17-21(25(32)28-22-9-7-6-8-10-22)15-16-23(24)26(33)31(27)18-20-13-11-19(3)12-14-20/h6-17H,4-5,18H2,1-3H3,(H,28,32)
InChIKeyDDYVSKLODWRKCN-UHFFFAOYSA-N
XLogP4.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
CID 53052510
3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052429
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide
CID 53052465
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052428
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide
CID 87337371
3-benzyl-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide
CID 46360976

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide?
The IUPAC name of 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide (CID 53052524) is 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide.
What is the SMILES notation for 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide?
The canonical SMILES for 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide is CCN(CC)c1nc2cc(C(=O)Nc3ccccc3)ccc2c(=O)n1Cc1ccc(C)cc1.
What is the InChIKey of 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide?
The InChIKey is DDYVSKLODWRKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-4-30(5-2)27-29-24-17-21(25(32)28-22-9-7-6-8-10-22)15-16-23(24)26(33)31(27)18-20-13-11-19(3)12-14-20/h6-17H,4-5,18H2,1-3H3,(H,28,32).
What are the key properties of 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide?
2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-[(4-methylphenyl)methyl]-4-oxo-N-phenylquinazoline-7-carboxamide is sourced from PubChem (CID 53052524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).