4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride

C16H22ClN3O3 — CID 120922186

IUPAC4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCOCC1
InChIInChI=1S/C16H21N3O3.ClH/c17-10-16(5-7-22-8-6-16)15(21)18-12-2-3-13-11(9-12)1-4-14(20)19-13;/h2-3,9H,1,4-8,10,17H2,(H,18,21)(H,19,20);1H
InChIKeyKRAKMUKALJRNSC-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.69
Rot. Bonds3

About 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120922186) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120922186
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCOCC1
InChIInChI=1S/C16H21N3O3.ClH/c17-10-16(5-7-22-8-6-16)15(21)18-12-2-3-13-11(9-12)1-4-14(20)19-13;/h2-3,9H,1,4-8,10,17H2,(H,18,21)(H,19,20);1H
InChIKeyKRAKMUKALJRNSC-UHFFFAOYSA-N
XLogP1.69
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride with MolForge

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Related Compounds

4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
CID 120931223
1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119708965
4-(aminomethyl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxane-4-carboxamide;hydrochloride
CID 120925239
4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
CID 120932205
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride (CID 120922186) is 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is KRAKMUKALJRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c17-10-16(5-7-22-8-6-16)15(21)18-12-2-3-13-11(9-12)1-4-14(20)19-13;/h2-3,9H,1,4-8,10,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120922186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).