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

C16H24ClN3O2 — CID 119788407

IUPAC7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C16H23N3O2.ClH/c17-10-4-2-1-3-5-15(20)18-13-8-6-12-7-9-16(21)19-14(12)11-13;/h6,8,11H,1-5,7,9-10,17H2,(H,18,20)(H,19,21);1H
InChIKeyPNIMQTOAWVUKIT-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.84
Rot. Bonds7

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

7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride (PubChem CID 119788407) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride
PubChem CID119788407
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C16H23N3O2.ClH/c17-10-4-2-1-3-5-15(20)18-13-8-6-12-7-9-16(21)19-14(12)11-13;/h6,8,11H,1-5,7,9-10,17H2,(H,18,20)(H,19,21);1H
InChIKeyPNIMQTOAWVUKIT-UHFFFAOYSA-N
XLogP2.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.84
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-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride
CID 119728510
2-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pentanamide;hydrochloride
CID 119326451
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119326443

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride (CID 119788407) is 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride?
The InChIKey is PNIMQTOAWVUKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-10-4-2-1-3-5-15(20)18-13-8-6-12-7-9-16(21)19-14(12)11-13;/h6,8,11H,1-5,7,9-10,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride?
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride is sourced from PubChem (CID 119788407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).