N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C22H31N3O2 — CID 53174888

IUPACN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCC1CCCCN1CCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C22H31N3O2/c1-3-19-6-4-5-12-25(19)13-11-23-21(26)10-9-18-15-17-8-7-16(2)14-20(17)24-22(18)27/h7-8,14-15,19H,3-6,9-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySBYRKSTZOXBVAX-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 53174888) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID53174888
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCC1CCCCN1CCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C22H31N3O2/c1-3-19-6-4-5-12-25(19)13-11-23-21(26)10-9-18-15-17-8-7-16(2)14-20(17)24-22(18)27/h7-8,14-15,19H,3-6,9-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySBYRKSTZOXBVAX-UHFFFAOYSA-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-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103351
N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103360
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716
N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174850
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56721682
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
3-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95228469
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 53174888) is N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is CCC1CCCCN1CCNC(=O)CCc1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is SBYRKSTZOXBVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-19-6-4-5-12-25(19)13-11-23-21(26)10-9-18-15-17-8-7-16(2)14-20(17)24-22(18)27/h7-8,14-15,19H,3-6,9-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-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-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 53174888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).