4-(2-methylazepan-1-yl)quinolin-8-amine

C16H21N3 — CID 83060900

IUPAC4-(2-methylazepan-1-yl)quinolin-8-amine
SMILESCC1CCCCCN1c1ccnc2c(N)cccc12
InChIInChI=1S/C16H21N3/c1-12-6-3-2-4-11-19(12)15-9-10-18-16-13(15)7-5-8-14(16)17/h5,7-10,12H,2-4,6,11,17H2,1H3
InChIKeyGNQIHLHFPDBQAI-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.59
Rot. Bonds1

About 4-(2-methylazepan-1-yl)quinolin-8-amine

4-(2-methylazepan-1-yl)quinolin-8-amine (PubChem CID 83060900) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(2-methylazepan-1-yl)quinolin-8-amine.

Molecular Properties

Compound Name4-(2-methylazepan-1-yl)quinolin-8-amine
PubChem CID83060900
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(2-methylazepan-1-yl)quinolin-8-amine
SMILESCC1CCCCCN1c1ccnc2c(N)cccc12
InChIInChI=1S/C16H21N3/c1-12-6-3-2-4-11-19(12)15-9-10-18-16-13(15)7-5-8-14(16)17/h5,7-10,12H,2-4,6,11,17H2,1H3
InChIKeyGNQIHLHFPDBQAI-UHFFFAOYSA-N
XLogP3.59
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methylquinoxaline
CID 61670
3-Aminoquinoline
CID 11375
5-Aminoquinoline
CID 11911
8-(Methylsulfonylamino)quinoline
CID 151506
6-Aminoquinoline
CID 11373
8-Aminoquinoline
CID 11359
4-Aminoquinoline
CID 68476
4-Piperazin-1-yl-quinoline
CID 1534386
6-Methylquinoxaline
CID 242567
7-Aminoquinoline
CID 11377
2-Methyl-8-aminoquinoline
CID 140457
2-Methyl-1,10-phenanthroline
CID 4913356

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazepan-1-yl)quinolin-8-amine?
The IUPAC name of 4-(2-methylazepan-1-yl)quinolin-8-amine (CID 83060900) is 4-(2-methylazepan-1-yl)quinolin-8-amine.
What is the SMILES notation for 4-(2-methylazepan-1-yl)quinolin-8-amine?
The canonical SMILES for 4-(2-methylazepan-1-yl)quinolin-8-amine is CC1CCCCCN1c1ccnc2c(N)cccc12.
What is the InChIKey of 4-(2-methylazepan-1-yl)quinolin-8-amine?
The InChIKey is GNQIHLHFPDBQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-3-2-4-11-19(12)15-9-10-18-16-13(15)7-5-8-14(16)17/h5,7-10,12H,2-4,6,11,17H2,1H3.
What are the key properties of 4-(2-methylazepan-1-yl)quinolin-8-amine?
4-(2-methylazepan-1-yl)quinolin-8-amine has a molecular weight of 255.37 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazepan-1-yl)quinolin-8-amine is sourced from PubChem (CID 83060900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).