(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide

C20H19Cl2N3O3 — CID 135941956

IUPAC(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N3O3/c1-3-25(20(27)12(2)28-15-7-4-13(21)5-8-15)11-18-23-17-10-14(22)6-9-16(17)19(26)24-18/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)/t12-/m0/s1
InChIKeyNVRPTNMJIXMNJS-LBPRGKRZSA-N
MW420.30 g/mol
LogP4.05
Rot. Bonds6

About (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide

(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide (PubChem CID 135941956) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide
PubChem CID135941956
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N3O3/c1-3-25(20(27)12(2)28-15-7-4-13(21)5-8-15)11-18-23-17-10-14(22)6-9-16(17)19(26)24-18/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)/t12-/m0/s1
InChIKeyNVRPTNMJIXMNJS-LBPRGKRZSA-N
XLogP4.05
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide with MolForge

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Related Compounds

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenoxybutanamide
CID 135875186
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 135875146
(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135898154
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-ethylacetamide
CID 135875144
2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962144
N-benzyl-2-(3-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738162
(E)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-chlorophenyl)-N-ethylprop-2-enamide
CID 136869743
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-phenylbutanamide
CID 135903797
4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide
CID 135775979
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2,6-dimethylphenoxy)-N-ethylacetamide
CID 135875142
5-acetyl-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 135931570
2-(2-bromo-4-chlorophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
CID 135875145

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide?
The IUPAC name of (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide (CID 135941956) is (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide.
What is the SMILES notation for (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide?
The canonical SMILES for (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide is CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H](C)Oc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide?
The InChIKey is NVRPTNMJIXMNJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-3-25(20(27)12(2)28-15-7-4-13(21)5-8-15)11-18-23-17-10-14(22)6-9-16(17)19(26)24-18/h4-10,12H,3,11H2,1-2H3,(H,23,24,26)/t12-/m0/s1.
What are the key properties of (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide?
(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide has a molecular weight of 420.30 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 135941956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).