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

C22H31N3O3 — CID 95103360

IUPACN-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCC[C@@H]1CCCCN1CCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C22H31N3O3/c1-3-18-6-4-5-12-25(18)13-11-23-21(26)10-7-16-14-17-15-19(28-2)8-9-20(17)24-22(16)27/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyKFHBUYVWACTMHN-GOSISDBHSA-N
MW385.51 g/mol
LogP2.85
Rot. Bonds8

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

N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 95103360) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID95103360
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCC[C@@H]1CCCCN1CCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O
InChIInChI=1S/C22H31N3O3/c1-3-18-6-4-5-12-25(18)13-11-23-21(26)10-7-16-14-17-15-19(28-2)8-9-20(17)24-22(16)27/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyKFHBUYVWACTMHN-GOSISDBHSA-N
XLogP2.85
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide with MolForge

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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-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174888
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716
N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331318
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174760
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917
3-(2-ethylpyrrolidine-1-carbonyl)-6-methoxy-1H-quinolin-2-one
CID 166187773

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (CID 95103360) is N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is CC[C@@H]1CCCCN1CCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O.
What is the InChIKey of N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is KFHBUYVWACTMHN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-18-6-4-5-12-25(18)13-11-23-21(26)10-7-16-14-17-15-19(28-2)8-9-20(17)24-22(16)27/h8-9,14-15,18H,3-7,10-13H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1.
What are the key properties of N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 385.51 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 95103360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).