5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine

C18H15ClN2 — CID 116783955

IUPAC5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
SMILESC=C(CNc1ccc(Cl)c2cccnc12)c1ccccc1
InChIInChI=1S/C18H15ClN2/c1-13(14-6-3-2-4-7-14)12-21-17-10-9-16(19)15-8-5-11-20-18(15)17/h2-11,21H,1,12H2
InChIKeyFQBREWWBDXNWSO-UHFFFAOYSA-N
MW294.79 g/mol
LogP5.01
Rot. Bonds4

About 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine

5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine (PubChem CID 116783955) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
PubChem CID116783955
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
SMILESC=C(CNc1ccc(Cl)c2cccnc12)c1ccccc1
InChIInChI=1S/C18H15ClN2/c1-13(14-6-3-2-4-7-14)12-21-17-10-9-16(19)15-8-5-11-20-18(15)17/h2-11,21H,1,12H2
InChIKeyFQBREWWBDXNWSO-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.79
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid
CID 104608662
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960
butyl 2-[(5-chloroquinolin-8-yl)amino]acetate
CID 116783881
2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline
CID 113288100
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine (CID 116783955) is 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine is C=C(CNc1ccc(Cl)c2cccnc12)c1ccccc1.
What is the InChIKey of 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine?
The InChIKey is FQBREWWBDXNWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c1-13(14-6-3-2-4-7-14)12-21-17-10-9-16(19)15-8-5-11-20-18(15)17/h2-11,21H,1,12H2.
What are the key properties of 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine?
5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine has a molecular weight of 294.79 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine is sourced from PubChem (CID 116783955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).