N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride

C18H26ClN3O2 — CID 119565152

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCN2C(=O)CCc3ccccc32)CCCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-13-18(10-3-4-11-18)20-16(22)9-12-21-15-6-2-1-5-14(15)7-8-17(21)23;/h1-2,5-6H,3-4,7-13,19H2,(H,20,22);1H
InChIKeyIYUKYHOXKGHEHI-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.17
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride (PubChem CID 119565152) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
PubChem CID119565152
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCN2C(=O)CCc3ccccc32)CCCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-13-18(10-3-4-11-18)20-16(22)9-12-21-15-6-2-1-5-14(15)7-8-17(21)23;/h1-2,5-6H,3-4,7-13,19H2,(H,20,22);1H
InChIKeyIYUKYHOXKGHEHI-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 119567809
2-[4-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]oxan-4-yl]acetic acid
CID 119215641
N-(2-amino-1-cyclopropylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119613182
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119619374
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 119527590
1-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 120809045
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
6-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]hexanoic acid
CID 119220243
N-[1-(aminomethyl)cyclopentyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119567299
3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
CID 120700581

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride (CID 119565152) is N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride is Cl.NCC1(NC(=O)CCN2C(=O)CCc3ccccc32)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride?
The InChIKey is IYUKYHOXKGHEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c19-13-18(10-3-4-11-18)20-16(22)9-12-21-15-6-2-1-5-14(15)7-8-17(21)23;/h1-2,5-6H,3-4,7-13,19H2,(H,20,22);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride is sourced from PubChem (CID 119565152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).