2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile

C15H14ClN3 — CID 116784057

IUPAC2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNc2ccc(Cl)c3cccnc23)CC1
InChIInChI=1S/C15H14ClN3/c16-12-3-4-13(14-11(12)2-1-9-18-14)19-10-15(5-6-15)7-8-17/h1-4,9,19H,5-7,10H2
InChIKeyPHEXIUZMSOTITG-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.99
Rot. Bonds4

About 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 116784057) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID116784057
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNc2ccc(Cl)c3cccnc23)CC1
InChIInChI=1S/C15H14ClN3/c16-12-3-4-13(14-11(12)2-1-9-18-14)19-10-15(5-6-15)7-8-17/h1-4,9,19H,5-7,10H2
InChIKeyPHEXIUZMSOTITG-UHFFFAOYSA-N
XLogP3.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
2-[1-[(naphthalen-1-ylamino)methyl]cyclopropyl]acetonitrile
CID 65479545
2-[1-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]cyclopropyl]acetonitrile
CID 65497515
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-[1-[(5-chloro-2-fluoroanilino)methyl]cyclopropyl]acetonitrile
CID 65479769
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine
CID 63449092
N-[1-(aminomethyl)cyclohexyl]-5-chloroquinolin-8-amine
CID 116783635
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile (CID 116784057) is 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNc2ccc(Cl)c3cccnc23)CC1.
What is the InChIKey of 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is PHEXIUZMSOTITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c16-12-3-4-13(14-11(12)2-1-9-18-14)19-10-15(5-6-15)7-8-17/h1-4,9,19H,5-7,10H2.
What are the key properties of 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 271.75 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-chloroquinolin-8-yl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 116784057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).