7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride

C18H28ClN3O2 — CID 119729777

IUPAC7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
SMILESCC(NC(=O)CCCCCCN)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-13(20-17(22)6-4-2-3-5-11-19)14-7-9-16-15(12-14)8-10-18(23)21-16;/h7,9,12-13H,2-6,8,10-11,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyYIQWSILYEXZWQQ-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.08
Rot. Bonds8

About 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride

7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride (PubChem CID 119729777) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
PubChem CID119729777
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
SMILESCC(NC(=O)CCCCCCN)c1ccc2c(c1)CCC(=O)N2.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-13(20-17(22)6-4-2-3-5-11-19)14-7-9-16-15(12-14)8-10-18(23)21-16;/h7,9,12-13H,2-6,8,10-11,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyYIQWSILYEXZWQQ-UHFFFAOYSA-N
XLogP3.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
4-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 119729786
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
3-(2-fluorophenoxy)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 94078790
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
3-(2-methylanilino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 97007820
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride (CID 119729777) is 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride is CC(NC(=O)CCCCCCN)c1ccc2c(c1)CCC(=O)N2.Cl.
What is the InChIKey of 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride?
The InChIKey is YIQWSILYEXZWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-13(20-17(22)6-4-2-3-5-11-19)14-7-9-16-15(12-14)8-10-18(23)21-16;/h7,9,12-13H,2-6,8,10-11,19H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride?
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride is sourced from PubChem (CID 119729777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).