2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide

C19H21ClN4O2 — CID 94636058

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)c1ccc(Cl)cn1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H21ClN4O2/c1-12(13-3-6-16-14(9-13)4-8-18(25)23-16)22-19(26)11-24(2)17-7-5-15(20)10-21-17/h3,5-7,9-10,12H,4,8,11H2,1-2H3,(H,22,26)(H,23,25)/t12-/m0/s1
InChIKeyZBEOLKPUTSWJIL-LBPRGKRZSA-N
MW372.86 g/mol
LogP2.93
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide

2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide (PubChem CID 94636058) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
PubChem CID94636058
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)c1ccc(Cl)cn1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H21ClN4O2/c1-12(13-3-6-16-14(9-13)4-8-18(25)23-16)22-19(26)11-24(2)17-7-5-15(20)10-21-17/h3,5-7,9-10,12H,4,8,11H2,1-2H3,(H,22,26)(H,23,25)/t12-/m0/s1
InChIKeyZBEOLKPUTSWJIL-LBPRGKRZSA-N
XLogP2.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
3-(2-fluorophenoxy)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 94078790
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 51089323
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
1-(4-chlorophenyl)-5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 78890854
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 102556137

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide (CID 94636058) is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide is C[C@H](NC(=O)CN(C)c1ccc(Cl)cn1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
The InChIKey is ZBEOLKPUTSWJIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-12(13-3-6-16-14(9-13)4-8-18(25)23-16)22-19(26)11-24(2)17-7-5-15(20)10-21-17/h3,5-7,9-10,12H,4,8,11H2,1-2H3,(H,22,26)(H,23,25)/t12-/m0/s1.
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide?
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide has a molecular weight of 372.86 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 94636058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).