2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide

C21H22ClN3O3 — CID 135962144

IUPAC2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C21H22ClN3O3/c1-13(2)25(21(27)14(3)28-16-10-8-15(22)9-11-16)12-19-23-18-7-5-4-6-17(18)20(26)24-19/h4-11,13-14H,12H2,1-3H3,(H,23,24,26)
InChIKeyLDIZDRSOBRJHRX-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.78
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide

2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 135962144) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
PubChem CID135962144
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C21H22ClN3O3/c1-13(2)25(21(27)14(3)28-16-10-8-15(22)9-11-16)12-19-23-18-7-5-4-6-17(18)20(26)24-19/h4-11,13-14H,12H2,1-3H3,(H,23,24,26)
InChIKeyLDIZDRSOBRJHRX-UHFFFAOYSA-N
XLogP3.78
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135956667
(2S)-2-(4-chlorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135898154
(2R)-2-(4-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135939340
N-benzyl-2-(3-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738162
3-(4-chlorophenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide
CID 135962235
(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(4-chlorophenoxy)-N-ethylpropanamide
CID 135941956
N-benzyl-2-(4-bromophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738147
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
2-(4-methoxyphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137306021
5-chloro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 137314516
(1S)-2,2-dichloro-1-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 136712327
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide (CID 135962144) is 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide is CC(Oc1ccc(Cl)cc1)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is LDIZDRSOBRJHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13(2)25(21(27)14(3)28-16-10-8-15(22)9-11-16)12-19-23-18-7-5-4-6-17(18)20(26)24-19/h4-11,13-14H,12H2,1-3H3,(H,23,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide?
2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 399.88 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 135962144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).