3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C19H24ClFN4O3 — CID 120578766

IUPAC3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C19H23FN4O3.ClH/c20-12-4-5-14-15(10-18(26)23-16(14)9-12)19(27)24-8-2-1-3-13(24)11-22-17(25)6-7-21;/h4-5,9-10,13H,1-3,6-8,11,21H2,(H,22,25)(H,23,26);1H
InChIKeyQGJHCCDBIICIHZ-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578766) has the molecular formula C19H24ClFN4O3 and a molecular weight of 410.88 g/mol. Its IUPAC name is 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578766
Molecular FormulaC19H24ClFN4O3
Molecular Weight410.88 g/mol
Exact Mass410.15
IUPAC Name3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C19H23FN4O3.ClH/c20-12-4-5-14-15(10-18(26)23-16(14)9-12)19(27)24-8-2-1-3-13(24)11-22-17(25)6-7-21;/h4-5,9-10,13H,1-3,6-8,11,21H2,(H,22,25)(H,23,26);1H
InChIKeyQGJHCCDBIICIHZ-UHFFFAOYSA-N
XLogP1.55
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[1-[2-(2,5-difluorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578823
3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559
3-amino-N-[[1-[4-(4-fluorophenyl)-4-oxobutanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579536
N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide
CID 120580225
3-amino-N-[[1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579912
N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131941647
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300
3-amino-N-[[1-(3-chloropyridine-4-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580168
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
3-amino-N-[[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578777

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578766) is 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is QGJHCCDBIICIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3.ClH/c20-12-4-5-14-15(10-18(26)23-16(14)9-12)19(27)24-8-2-1-3-13(24)11-22-17(25)6-7-21;/h4-5,9-10,13H,1-3,6-8,11,21H2,(H,22,25)(H,23,26);1H.
What are the key properties of 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 410.88 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).