5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide

C27H26N4O4 — CID 164620712

IUPAC5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCCc1cccc(CNC(=O)c2nc3cccc(COCc4ccc(C(N)=O)cc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C27H26N4O4/c1-2-17-5-3-6-19(13-17)14-29-27(34)25-30-22-8-4-7-21(23(22)26(33)31-25)16-35-15-18-9-11-20(12-10-18)24(28)32/h3-13H,2,14-16H2,1H3,(H2,28,32)(H,29,34)(H,30,31,33)
InChIKeyKKRFRADSVLTDJT-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.23
Rot. Bonds9

About 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide

5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 164620712) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID164620712
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCCc1cccc(CNC(=O)c2nc3cccc(COCc4ccc(C(N)=O)cc4)c3c(=O)[nH]2)c1
InChIInChI=1S/C27H26N4O4/c1-2-17-5-3-6-19(13-17)14-29-27(34)25-30-22-8-4-7-21(23(22)26(33)31-25)16-35-15-18-9-11-20(12-10-18)24(28)32/h3-13H,2,14-16H2,1H3,(H2,28,32)(H,29,34)(H,30,31,33)
InChIKeyKKRFRADSVLTDJT-UHFFFAOYSA-N
XLogP3.23
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Benzyl 3-(3,4-dimethylbenzyl)-4-oxo-3,4-dihydroquinazolin-6-ylcarbamate
CID 44574659
5-((Benzyloxy)methyl)-N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
CID 135982287
5-[[benzyl(methyl)amino]methyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135982332
4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]methoxymethyl]benzoic acid
CID 135982360
benzyl N-[[4-(8-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate
CID 136215774
2-amino-7-(3-butylphenyl)-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127027436
Sdccgsbi-0661687.P001
CID 135400001
(4-phenylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135512270
N-[(3-methoxyphenyl)methyl]-4-oxo-5-(3-phenylpropyl)-3H-quinazoline-2-carboxamide
CID 135995999
N-[(3-methoxyphenyl)methyl]-4-oxo-5-phenyl-3H-quinazoline-2-carboxamide
CID 135996007
Antimalarial agent 2
CID 162640602
4-[[2-[(4-ethylphenyl)methylcarbamoyl]-4-oxo-3H-quinazolin-5-yl]methoxymethyl]benzoic acid
CID 164609489

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 164620712) is 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is CCc1cccc(CNC(=O)c2nc3cccc(COCc4ccc(C(N)=O)cc4)c3c(=O)[nH]2)c1.
What is the InChIKey of 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is KKRFRADSVLTDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-2-17-5-3-6-19(13-17)14-29-27(34)25-30-22-8-4-7-21(23(22)26(33)31-25)16-35-15-18-9-11-20(12-10-18)24(28)32/h3-13H,2,14-16H2,1H3,(H2,28,32)(H,29,34)(H,30,31,33).
What are the key properties of 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.23, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carbamoylphenyl)methoxymethyl]-N-[(3-ethylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 164620712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).