N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide

C19H18Cl2N4O2 — CID 135462208

IUPACN-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1Cl)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18Cl2N4O2/c1-11(18(26)23-16-8-7-12(20)9-14(16)21)25(2)10-17-22-15-6-4-3-5-13(15)19(27)24-17/h3-9,11H,10H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyKRAQSJOOCIPNIQ-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.69
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide

N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide (PubChem CID 135462208) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
PubChem CID135462208
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC NameN-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1Cl)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18Cl2N4O2/c1-11(18(26)23-16-8-7-12(20)9-14(16)21)25(2)10-17-22-15-6-4-3-5-13(15)19(27)24-17/h3-9,11H,10H2,1-2H3,(H,23,26)(H,22,24,27)
InChIKeyKRAQSJOOCIPNIQ-UHFFFAOYSA-N
XLogP3.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135920487
(2S)-N-(4-chlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135920488
N-(2,4-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808404
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135886900
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135899797
(2R)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 135898082
2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide
CID 135959612
(2R)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 135952221
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135997910
2-[[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]methyl]-3H-quinazolin-4-one
CID 135909602
2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 135950012
5-chloro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 137314516

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide (CID 135462208) is N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide is CC(C(=O)Nc1ccc(Cl)cc1Cl)N(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide?
The InChIKey is KRAQSJOOCIPNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-11(18(26)23-16-8-7-12(20)9-14(16)21)25(2)10-17-22-15-6-4-3-5-13(15)19(27)24-17/h3-9,11H,10H2,1-2H3,(H,23,26)(H,22,24,27).
What are the key properties of N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide?
N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide has a molecular weight of 405.29 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 135462208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).