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

C25H24N4O3 — CID 135996001

IUPACN-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(NCCc4ccccc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C25H24N4O3/c1-32-19-10-5-9-18(15-19)16-27-25(31)23-28-21-12-6-11-20(22(21)24(30)29-23)26-14-13-17-7-3-2-4-8-17/h2-12,15,26H,13-14,16H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyNJWYBMXICXPPLV-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.52
Rot. Bonds8

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

N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide (PubChem CID 135996001) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide
PubChem CID135996001
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(NCCc4ccccc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C25H24N4O3/c1-32-19-10-5-9-18(15-19)16-27-25(31)23-28-21-12-6-11-20(22(21)24(30)29-23)26-14-13-17-7-3-2-4-8-17/h2-12,15,26H,13-14,16H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyNJWYBMXICXPPLV-UHFFFAOYSA-N
XLogP3.52
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone
CID 11559627
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-(6-(3-((dimethylamino)methyl)phenyl)-2-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 24900844
5-[2-(4-aminophenyl)ethoxy]-6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135995993
6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethoxy)-3H-quinazoline-2-carboxamide
CID 135995995
5-(2-cyclohexylethoxy)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135995997
N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropoxy)-3H-quinazoline-2-carboxamide
CID 135996003
N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethoxy)-3H-quinazoline-2-carboxamide
CID 135996004
N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenylmethoxy-3H-quinazoline-2-carboxamide
CID 135996005
5-(2-anilino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135995998
N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenoxy-3H-quinazoline-2-carboxamide
CID 135996006
N~1~-(2-methoxybenzyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3245794

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide (CID 135996001) is N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide is COc1cccc(CNC(=O)c2nc3cccc(NCCc4ccccc4)c3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide?
The InChIKey is NJWYBMXICXPPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-32-19-10-5-9-18(15-19)16-27-25(31)23-28-21-12-6-11-20(22(21)24(30)29-23)26-14-13-17-7-3-2-4-8-17/h2-12,15,26H,13-14,16H2,1H3,(H,27,31)(H,28,29,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-oxo-5-(2-phenylethylamino)-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135996001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).