N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C22H31N3O2 — CID 95103351

IUPACN-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCC[C@H]1CCCCN1CCNC(=O)CCc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C22H31N3O2/c1-3-19-6-4-5-12-25(19)13-11-23-21(26)10-8-17-15-18-14-16(2)7-9-20(18)24-22(17)27/h7,9,14-15,19H,3-6,8,10-13H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyYUHJNFUSXXIYML-IBGZPJMESA-N
MW369.51 g/mol
LogP3.15
Rot. Bonds7

About N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 95103351) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID95103351
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCC[C@H]1CCCCN1CCNC(=O)CCc1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C22H31N3O2/c1-3-19-6-4-5-12-25(19)13-11-23-21(26)10-8-17-15-18-14-16(2)7-9-20(18)24-22(17)27/h7,9,14-15,19H,3-6,8,10-13H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyYUHJNFUSXXIYML-IBGZPJMESA-N
XLogP3.15
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174888
N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103360
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331255
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917
3-(furan-2-yl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110413804
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 95103351) is N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is CC[C@H]1CCCCN1CCNC(=O)CCc1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is YUHJNFUSXXIYML-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-19-6-4-5-12-25(19)13-11-23-21(26)10-8-17-15-18-14-16(2)7-9-20(18)24-22(17)27/h7,9,14-15,19H,3-6,8,10-13H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 369.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 95103351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).