2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride

C13H15Cl2N3O2 — CID 146086015

IUPAC2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCl.Cl
InChIInChI=1S/C13H14ClN3O2.ClH/c1-2-17(12(18)7-14)8-11-15-10-6-4-3-5-9(10)13(19)16-11;/h3-6H,2,7-8H2,1H3,(H,15,16,19);1H
InChIKeyKWYHWWOCYROHRG-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.93
Rot. Bonds4

About 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride

2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride (PubChem CID 146086015) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
PubChem CID146086015
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCl.Cl
InChIInChI=1S/C13H14ClN3O2.ClH/c1-2-17(12(18)7-14)8-11-15-10-6-4-3-5-9(10)13(19)16-11;/h3-6H,2,7-8H2,1H3,(H,15,16,19);1H
InChIKeyKWYHWWOCYROHRG-UHFFFAOYSA-N
XLogP1.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135820980
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194
1-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 137125066
2-(3,4-dimethylphenyl)sulfanyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821147
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
N-ethyl-2-(2-fluorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821046
4-(2,5-dimethylphenyl)-N-ethyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135821079
(2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 137050015
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026
trans-(1S,2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 137137328

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride (CID 146086015) is 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCl.Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride?
The InChIKey is KWYHWWOCYROHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2.ClH/c1-2-17(12(18)7-14)8-11-15-10-6-4-3-5-9(10)13(19)16-11;/h3-6H,2,7-8H2,1H3,(H,15,16,19);1H.
What are the key properties of 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride?
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride has a molecular weight of 316.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 146086015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).