2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide

C19H22N4O2 — CID 97333628

IUPAC2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESC[C@H](NCC(=O)NCc1cccnc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H22N4O2/c1-13(15-4-6-17-16(9-15)5-7-18(24)23-17)21-12-19(25)22-11-14-3-2-8-20-10-14/h2-4,6,8-10,13,21H,5,7,11-12H2,1H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyHVOANILAORITBR-ZDUSSCGKSA-N
MW338.41 g/mol
LogP1.93
Rot. Bonds6

About 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide

2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 97333628) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID97333628
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESC[C@H](NCC(=O)NCc1cccnc1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H22N4O2/c1-13(15-4-6-17-16(9-15)5-7-18(24)23-17)21-12-19(25)22-11-14-3-2-8-20-10-14/h2-4,6,8-10,13,21H,5,7,11-12H2,1H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyHVOANILAORITBR-ZDUSSCGKSA-N
XLogP1.93
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

2-[[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-pyridin-3-ylacetamide
CID 97333641
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 75497285
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
6-(2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854708
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94077981
6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854649
6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95137572
6-[1-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 75442754
6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94182663
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229
1-(furan-3-ylmethyl)-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120743

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide (CID 97333628) is 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide is C[C@H](NCC(=O)NCc1cccnc1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HVOANILAORITBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(15-4-6-17-16(9-15)5-7-18(24)23-17)21-12-19(25)22-11-14-3-2-8-20-10-14/h2-4,6,8-10,13,21H,5,7,11-12H2,1H3,(H,22,25)(H,23,24)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 97333628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).