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

C21H29N3O2 — CID 53174634

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCN(CCNC(=O)CCc1cc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C21H29N3O2/c1-24(18-8-3-2-4-9-18)14-13-22-20(25)12-11-17-15-16-7-5-6-10-19(16)23-21(17)26/h5-7,10,15,18H,2-4,8-9,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyPMZSKLVUHQBJHC-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.84
Rot. Bonds7

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

N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 53174634) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID53174634
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCN(CCNC(=O)CCc1cc2ccccc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C21H29N3O2/c1-24(18-8-3-2-4-9-18)14-13-22-20(25)12-11-17-15-16-7-5-6-10-19(16)23-21(17)26/h5-7,10,15,18H,2-4,8-9,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyPMZSKLVUHQBJHC-UHFFFAOYSA-N
XLogP2.84
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 95103339
N-cyclohexyl-N-cyclopropyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 56820333
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174593
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110414837
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110353693
3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110616746
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 47078205
4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110415150

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide (CID 53174634) is N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide is CN(CCNC(=O)CCc1cc2ccccc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is PMZSKLVUHQBJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-24(18-8-3-2-4-9-18)14-13-22-20(25)12-11-17-15-16-7-5-6-10-19(16)23-21(17)26/h5-7,10,15,18H,2-4,8-9,11-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 53174634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).