N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide

C23H19N3O3 — CID 135996007

IUPACN-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(-c4ccccc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C23H19N3O3/c1-29-17-10-5-7-15(13-17)14-24-23(28)21-25-19-12-6-11-18(20(19)22(27)26-21)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyUXPARTXXBHEYPC-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.53
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide

N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide (PubChem CID 135996007) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide
PubChem CID135996007
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(-c4ccccc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C23H19N3O3/c1-29-17-10-5-7-15(13-17)14-24-23(28)21-25-19-12-6-11-18(20(19)22(27)26-21)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyUXPARTXXBHEYPC-UHFFFAOYSA-N
XLogP3.53
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide (CID 135996007) is N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide is COc1cccc(CNC(=O)c2nc3cccc(-c4ccccc4)c3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide?
The InChIKey is UXPARTXXBHEYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-17-10-5-7-15(13-17)14-24-23(28)21-25-19-12-6-11-18(20(19)22(27)26-21)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135996007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).