N-(3-aminopropyl)-N-propylquinoline-8-carboxamide

C16H21N3O — CID 62849856

IUPACN-(3-aminopropyl)-N-propylquinoline-8-carboxamide
SMILESCCCN(CCCN)C(=O)c1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-2-11-19(12-5-9-17)16(20)14-8-3-6-13-7-4-10-18-15(13)14/h3-4,6-8,10H,2,5,9,11-12,17H2,1H3
InChIKeyBITJNJRWRPHOMH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds6

About N-(3-aminopropyl)-N-propylquinoline-8-carboxamide

N-(3-aminopropyl)-N-propylquinoline-8-carboxamide (PubChem CID 62849856) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propylquinoline-8-carboxamide
PubChem CID62849856
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(3-aminopropyl)-N-propylquinoline-8-carboxamide
SMILESCCCN(CCCN)C(=O)c1cccc2cccnc12
InChIInChI=1S/C16H21N3O/c1-2-11-19(12-5-9-17)16(20)14-8-3-6-13-7-4-10-18-15(13)14/h3-4,6-8,10H,2,5,9,11-12,17H2,1H3
InChIKeyBITJNJRWRPHOMH-UHFFFAOYSA-N
XLogP2.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-propylquinoline-8-carboxamide
CID 80660904
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide
CID 43136568
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide
CID 43319197
2-[(2-amino-2-oxoethyl)-(quinoline-8-carbonyl)amino]acetic acid
CID 107433551
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-8-carboxamide
CID 76951123
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)pyridine-2,6-dicarboxamide
CID 67393235

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propylquinoline-8-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-propylquinoline-8-carboxamide (CID 62849856) is N-(3-aminopropyl)-N-propylquinoline-8-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propylquinoline-8-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-propylquinoline-8-carboxamide is CCCN(CCCN)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-(3-aminopropyl)-N-propylquinoline-8-carboxamide?
The InChIKey is BITJNJRWRPHOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-11-19(12-5-9-17)16(20)14-8-3-6-13-7-4-10-18-15(13)14/h3-4,6-8,10H,2,5,9,11-12,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-propylquinoline-8-carboxamide?
N-(3-aminopropyl)-N-propylquinoline-8-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propylquinoline-8-carboxamide is sourced from PubChem (CID 62849856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).