methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate

C24H19N3O3 — CID 10810808

IUPACmethyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1nc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H19N3O3/c1-30-24(29)20(16-10-4-2-5-11-16)27-23(28)21-18-14-8-9-15-19(18)25-22(26-21)17-12-6-3-7-13-17/h2-15,20H,1H3,(H,27,28)
InChIKeyZIHOANCIIYPINV-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.94
Rot. Bonds5

About methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate

methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate (PubChem CID 10810808) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate
PubChem CID10810808
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Namemethyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate
SMILESCOC(=O)C(NC(=O)c1nc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H19N3O3/c1-30-24(29)20(16-10-4-2-5-11-16)27-23(28)21-18-14-8-9-15-19(18)25-22(26-21)17-12-6-3-7-13-17/h2-15,20H,1H3,(H,27,28)
InChIKeyZIHOANCIIYPINV-UHFFFAOYSA-N
XLogP3.94
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SB 218795
CID 6604858
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-amino-8-fluoro-N-[[6-(propan-2-yloxymethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 134132656
Methyl N-(quinoline-2-carbonyl)-L-phenylalaninate
CID 9439964
Phenyl-[(2-phenyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 4529080
N-[(S)-alpha-(Methoxycarbonyl)benzyl]-2-phenylquinoline-4-carboxamide
CID 6604014
{[2-(2-Fluoro-phenyl)-quinoline-4-carbonyl]-amino}-phenyl-acetic acid methyl ester
CID 10136512
[(2-Cyclohexyl-quinoline-4-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 10272462
Phenyl-[(2-p-tolyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10740312
[(6,7-Dihydro-5H-13-aza-benzo[3,4]cyclohepta[1,2-b]naphthalene-8-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 11797202
Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid
CID 2992248

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate (CID 10810808) is methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate is COC(=O)C(NC(=O)c1nc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate?
The InChIKey is ZIHOANCIIYPINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-30-24(29)20(16-10-4-2-5-11-16)27-23(28)21-18-14-8-9-15-19(18)25-22(26-21)17-12-6-3-7-13-17/h2-15,20H,1H3,(H,27,28).
What are the key properties of methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate?
methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate has a molecular weight of 397.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-[(2-phenylquinazoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 10810808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).