N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane

C18H27N3O2 — CID 143047297

IUPACN-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
SMILESCC.CCCCOc1cc(C(=O)NCCN)c2ccccc2n1
InChIInChI=1S/C16H21N3O2.C2H6/c1-2-3-10-21-15-11-13(16(20)18-9-8-17)12-6-4-5-7-14(12)19-15;1-2/h4-7,11H,2-3,8-10,17H2,1H3,(H,18,20);1-2H3
InChIKeyKYCBDLOXNCLPEG-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.13
Rot. Bonds7

About N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane

N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane (PubChem CID 143047297) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
PubChem CID143047297
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
SMILESCC.CCCCOc1cc(C(=O)NCCN)c2ccccc2n1
InChIInChI=1S/C16H21N3O2.C2H6/c1-2-3-10-21-15-11-13(16(20)18-9-8-17)12-6-4-5-7-14(12)19-15;1-2/h4-7,11H,2-3,8-10,17H2,1H3,(H,18,20);1-2H3
InChIKeyKYCBDLOXNCLPEG-UHFFFAOYSA-N
XLogP3.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
2-aminobenzoic acid;bis(2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide);dihydrochloride
CID 174871279
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
CID 155529565
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
2-[2-(diethylamino)ethoxy]-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 28239
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane?
The IUPAC name of N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane (CID 143047297) is N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane.
What is the SMILES notation for N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane?
The canonical SMILES for N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane is CC.CCCCOc1cc(C(=O)NCCN)c2ccccc2n1.
What is the InChIKey of N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane?
The InChIKey is KYCBDLOXNCLPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.C2H6/c1-2-3-10-21-15-11-13(16(20)18-9-8-17)12-6-4-5-7-14(12)19-15;1-2/h4-7,11H,2-3,8-10,17H2,1H3,(H,18,20);1-2H3.
What are the key properties of N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane?
N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane has a molecular weight of 317.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane is sourced from PubChem (CID 143047297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).