N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide

C27H25N3O3 — CID 1456550

IUPACN-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide
SMILESCOc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)Cc4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C27H25N3O3/c1-33-22-12-7-19(8-13-22)17-30-26(20-9-10-20)29-24-14-11-21(16-23(24)27(30)32)28-25(31)15-18-5-3-2-4-6-18/h2-8,11-14,16,20H,9-10,15,17H2,1H3,(H,28,31)
InChIKeyUJMAACATYWPFFN-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.51
Rot. Bonds7

About N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide

N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide (PubChem CID 1456550) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide
PubChem CID1456550
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide
SMILESCOc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)Cc4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C27H25N3O3/c1-33-22-12-7-19(8-13-22)17-30-26(20-9-10-20)29-24-14-11-21(16-23(24)27(30)32)28-25(31)15-18-5-3-2-4-6-18/h2-8,11-14,16,20H,9-10,15,17H2,1H3,(H,28,31)
InChIKeyUJMAACATYWPFFN-UHFFFAOYSA-N
XLogP4.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 1456557
N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456638
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
CID 1456521
4-[[6-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 10003513
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966
ethyl 4-[[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]amino]-4-oxobutanoate
CID 3201838
2-(3-cyclopropylphenyl)-N-(4-methoxyphenyl)acetamide
CID 166236800
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
6-amino-3-[(4-chlorophenyl)methyl]-2-cyclopropylquinazolin-4-one
CID 1456616
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide?
The IUPAC name of N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide (CID 1456550) is N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide is COc1ccc(Cn2c(C3CC3)nc3ccc(NC(=O)Cc4ccccc4)cc3c2=O)cc1.
What is the InChIKey of N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide?
The InChIKey is UJMAACATYWPFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-33-22-12-7-19(8-13-22)17-30-26(20-9-10-20)29-24-14-11-21(16-23(24)27(30)32)28-25(31)15-18-5-3-2-4-6-18/h2-8,11-14,16,20H,9-10,15,17H2,1H3,(H,28,31).
What are the key properties of N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide?
N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide has a molecular weight of 439.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide is sourced from PubChem (CID 1456550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).