N-(azepan-4-yl)-7-chloroquinolin-4-amine

C15H18ClN3 — CID 107173682

IUPACN-(azepan-4-yl)-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NC3CCCNCC3)ccnc2c1
InChIInChI=1S/C15H18ClN3/c16-11-3-4-13-14(6-9-18-15(13)10-11)19-12-2-1-7-17-8-5-12/h3-4,6,9-10,12,17H,1-2,5,7-8H2,(H,18,19)
InChIKeyFTQJNPQOIIPMRB-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.44
Rot. Bonds2

About N-(azepan-4-yl)-7-chloroquinolin-4-amine

N-(azepan-4-yl)-7-chloroquinolin-4-amine (PubChem CID 107173682) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-(azepan-4-yl)-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-7-chloroquinolin-4-amine
PubChem CID107173682
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-(azepan-4-yl)-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NC3CCCNCC3)ccnc2c1
InChIInChI=1S/C15H18ClN3/c16-11-3-4-13-14(6-9-18-15(13)10-11)19-12-2-1-7-17-8-5-12/h3-4,6,9-10,12,17H,1-2,5,7-8H2,(H,18,19)
InChIKeyFTQJNPQOIIPMRB-UHFFFAOYSA-N
XLogP3.44
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
CID 64742610
7-chloro-N-[(3R)-1-methylpyrrolidin-3-yl]quinolin-4-amine
CID 57199203
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
7-chloro-N-(3-methylsulfanylcyclopentyl)quinolin-4-amine
CID 103704139
6-fluoro-N-piperidin-4-ylquinolin-4-amine
CID 68720863
7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
CID 104973339
4-N-(7-chloroquinolin-4-yl)-1-N-(1H-indol-6-ylmethyl)cyclohexane-1,4-diamine
CID 10237752
7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 23355211

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-7-chloroquinolin-4-amine?
The IUPAC name of N-(azepan-4-yl)-7-chloroquinolin-4-amine (CID 107173682) is N-(azepan-4-yl)-7-chloroquinolin-4-amine.
What is the SMILES notation for N-(azepan-4-yl)-7-chloroquinolin-4-amine?
The canonical SMILES for N-(azepan-4-yl)-7-chloroquinolin-4-amine is Clc1ccc2c(NC3CCCNCC3)ccnc2c1.
What is the InChIKey of N-(azepan-4-yl)-7-chloroquinolin-4-amine?
The InChIKey is FTQJNPQOIIPMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-11-3-4-13-14(6-9-18-15(13)10-11)19-12-2-1-7-17-8-5-12/h3-4,6,9-10,12,17H,1-2,5,7-8H2,(H,18,19).
What are the key properties of N-(azepan-4-yl)-7-chloroquinolin-4-amine?
N-(azepan-4-yl)-7-chloroquinolin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-7-chloroquinolin-4-amine is sourced from PubChem (CID 107173682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).