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

C26H25N3O3 — CID 135995999

IUPACN-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(CCCc4ccccc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C26H25N3O3/c1-32-21-14-6-11-19(16-21)17-27-26(31)24-28-22-15-7-13-20(23(22)25(30)29-24)12-5-10-18-8-3-2-4-9-18/h2-4,6-9,11,13-16H,5,10,12,17H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyVCRANPASSVNQBE-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.04
Rot. Bonds8

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

N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide (PubChem CID 135995999) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide
PubChem CID135995999
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3cccc(CCCc4ccccc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C26H25N3O3/c1-32-21-14-6-11-19(16-21)17-27-26(31)24-28-22-15-7-13-20(23(22)25(30)29-24)12-5-10-18-8-3-2-4-9-18/h2-4,6-9,11,13-16H,5,10,12,17H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyVCRANPASSVNQBE-UHFFFAOYSA-N
XLogP4.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4(3H)-one
CID 23631026
2-(6-(3-((dimethylamino)methyl)phenyl)-2-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl)-N-isopropylacetamide
CID 24900844
6-fluoro-5-[2-(4-fluorophenyl)ethoxy]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135995994
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-(3-phenylpropyl)-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide (CID 135995999) is N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide is COc1cccc(CNC(=O)c2nc3cccc(CCCc4ccccc4)c3c(=O)[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide?
The InChIKey is VCRANPASSVNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-32-21-14-6-11-19(16-21)17-27-26(31)24-28-22-15-7-13-20(23(22)25(30)29-24)12-5-10-18-8-3-2-4-9-18/h2-4,6-9,11,13-16H,5,10,12,17H2,1H3,(H,27,31)(H,28,29,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.04, 8 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-(3-phenylpropyl)-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135995999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).