N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide

C23H25N3O2 — CID 125177755

IUPACN-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide
SMILESCc1cc(-c2cccc(C(=O)N(C)[C@@H](C)C(=O)N(C)C)c2)c2ccccc2n1
InChIInChI=1S/C23H25N3O2/c1-15-13-20(19-11-6-7-12-21(19)24-15)17-9-8-10-18(14-17)23(28)26(5)16(2)22(27)25(3)4/h6-14,16H,1-5H3/t16-/m0/s1
InChIKeyUBVMHJSFPVVJJD-INIZCTEOSA-N
MW375.47 g/mol
LogP3.76
Rot. Bonds4

About N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide

N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide (PubChem CID 125177755) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide
PubChem CID125177755
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide
SMILESCc1cc(-c2cccc(C(=O)N(C)[C@@H](C)C(=O)N(C)C)c2)c2ccccc2n1
InChIInChI=1S/C23H25N3O2/c1-15-13-20(19-11-6-7-12-21(19)24-15)17-9-8-10-18(14-17)23(28)26(5)16(2)22(27)25(3)4/h6-14,16H,1-5H3/t16-/m0/s1
InChIKeyUBVMHJSFPVVJJD-INIZCTEOSA-N
XLogP3.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide
CID 118795046
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[3-(2-methylquinolin-4-yl)phenyl]methanone;dihydrochloride
CID 154903602
N-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 142658948
N-[(3R,4R)-4-hydroxypiperidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide;dihydrochloride
CID 154903592
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
CID 125159905
1-[3-(6-bromo-2-methylquinolin-4-yl)phenyl]prop-2-en-1-one;ethane
CID 168915019
N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride
CID 21283571
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
(4-chlorophenyl)-[4-(3-chlorophenyl)-2-methylquinolin-6-yl]methanone
CID 22136492
3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
CID 68913326

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide (CID 125177755) is N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide is Cc1cc(-c2cccc(C(=O)N(C)[C@@H](C)C(=O)N(C)C)c2)c2ccccc2n1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide?
The InChIKey is UBVMHJSFPVVJJD-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-13-20(19-11-6-7-12-21(19)24-15)17-9-8-10-18(14-17)23(28)26(5)16(2)22(27)25(3)4/h6-14,16H,1-5H3/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide?
N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-N-methyl-3-(2-methylquinolin-4-yl)benzamide is sourced from PubChem (CID 125177755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).