[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid

C16H11Cl2N3O3 — CID 136650821

IUPAC[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid
SMILESO=C(O)Nc1ccc2c(=O)[nH]c(Cc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C16H11Cl2N3O3/c17-11-4-1-8(5-12(11)18)6-14-20-13-7-9(19-16(23)24)2-3-10(13)15(22)21-14/h1-5,7,19H,6H2,(H,23,24)(H,20,21,22)
InChIKeyHDVHHGIXSPENBG-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.91
Rot. Bonds3

About [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid

[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid (PubChem CID 136650821) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid
PubChem CID136650821
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid
SMILESO=C(O)Nc1ccc2c(=O)[nH]c(Cc3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C16H11Cl2N3O3/c17-11-4-1-8(5-12(11)18)6-14-20-13-7-9(19-16(23)24)2-3-10(13)15(22)21-14/h1-5,7,19H,6H2,(H,23,24)(H,20,21,22)
InChIKeyHDVHHGIXSPENBG-UHFFFAOYSA-N
XLogP3.91
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-6-yl]carbamate
CID 135929573
6,7-dichloro-2-(1H-indazol-5-ylmethyl)-3H-quinazolin-4-one
CID 154800318
1-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-ethyl-3-(4-ethylphenyl)thiourea
CID 135789251
2-[(3,4-diethoxyphenyl)methyl]-4-oxo-3H-quinazoline-7-carboxylic acid
CID 135833221
2-[(3,4-dichlorophenyl)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613807
4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide
CID 167909516
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883
1-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-ethyl-3-(3-fluoro-4-methylphenyl)thiourea
CID 135784355
2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
CID 137240406
methyl 4-oxo-2-[(2,4,5-trichlorophenoxy)methyl]-3H-quinazoline-7-carboxylate
CID 135887550
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium
CID 135751172
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid?
The IUPAC name of [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid (CID 136650821) is [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid is O=C(O)Nc1ccc2c(=O)[nH]c(Cc3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid?
The InChIKey is HDVHHGIXSPENBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c17-11-4-1-8(5-12(11)18)6-14-20-13-7-9(19-16(23)24)2-3-10(13)15(22)21-14/h1-5,7,19H,6H2,(H,23,24)(H,20,21,22).
What are the key properties of [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid?
[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid has a molecular weight of 364.19 g/mol, XLogP of 3.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid is sourced from PubChem (CID 136650821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).