7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine

C21H24ClN3 — CID 24774700

IUPAC7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1C
InChIInChI=1S/C21H24ClN3/c1-4-25(5-2)14-16-12-18(8-6-15(16)3)24-20-10-11-23-21-13-17(22)7-9-19(20)21/h6-13H,4-5,14H2,1-3H3,(H,23,24)
InChIKeyDZCGUAYCGSIVCF-UHFFFAOYSA-N
MW353.90 g/mol
LogP5.78
Rot. Bonds6

About 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine

7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine (PubChem CID 24774700) has the molecular formula C21H24ClN3 and a molecular weight of 353.90 g/mol. Its IUPAC name is 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
PubChem CID24774700
Molecular FormulaC21H24ClN3
Molecular Weight353.90 g/mol
Exact Mass353.17
IUPAC Name7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1C
InChIInChI=1S/C21H24ClN3/c1-4-25(5-2)14-16-12-18(8-6-15(16)3)24-20-10-11-23-21-13-17(22)7-9-19(20)21/h6-13H,4-5,14H2,1-3H3,(H,23,24)
InChIKeyDZCGUAYCGSIVCF-UHFFFAOYSA-N
XLogP5.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.90
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine
CID 71717162
2-(4-chlorophenyl)sulfanyl-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
CID 547239
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
1-[2-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl-ethylamino]ethyl]-3-phenylurea
CID 44613083
1-[2-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl-ethylamino]ethyl]-3-phenylthiourea
CID 44613084
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-[2-(diethylamino)ethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 51041051
7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine
CID 44568687
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
4-[(7-chloroquinolin-4-yl)amino]-2-[(hexylamino)methyl]phenol
CID 135358665
7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine
CID 16719030
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine (CID 24774700) is 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine is CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1C.
What is the InChIKey of 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine?
The InChIKey is DZCGUAYCGSIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3/c1-4-25(5-2)14-16-12-18(8-6-15(16)3)24-20-10-11-23-21-13-17(22)7-9-19(20)21/h6-13H,4-5,14H2,1-3H3,(H,23,24).
What are the key properties of 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine?
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine has a molecular weight of 353.90 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine is sourced from PubChem (CID 24774700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).