7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine

C25H27ClN4 — CID 16719030

IUPAC7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(C)n(Nc2ccnc3cc(Cl)ccc23)c1-c1ccccc1
InChIInChI=1S/C25H27ClN4/c1-4-29(5-2)17-20-15-18(3)30(25(20)19-9-7-6-8-10-19)28-23-13-14-27-24-16-21(26)11-12-22(23)24/h6-16H,4-5,17H2,1-3H3,(H,27,28)
InChIKeyIUSSIVJPHOHBQW-UHFFFAOYSA-N
MW418.97 g/mol
LogP6.38
Rot. Bonds7

About 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine

7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine (PubChem CID 16719030) has the molecular formula C25H27ClN4 and a molecular weight of 418.97 g/mol. Its IUPAC name is 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine
PubChem CID16719030
Molecular FormulaC25H27ClN4
Molecular Weight418.97 g/mol
Exact Mass418.19
IUPAC Name7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(C)n(Nc2ccnc3cc(Cl)ccc23)c1-c1ccccc1
InChIInChI=1S/C25H27ClN4/c1-4-29(5-2)17-20-15-18(3)30(25(20)19-9-7-6-8-10-19)28-23-13-14-27-24-16-21(26)11-12-22(23)24/h6-16H,4-5,17H2,1-3H3,(H,27,28)
InChIKeyIUSSIVJPHOHBQW-UHFFFAOYSA-N
XLogP6.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.97
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine
CID 44568687
7-chloro-N-[3-(diethylaminomethyl)-4-methylphenyl]quinolin-4-amine
CID 24774700
7-chloro-N-[3-(2-iminopentyl)-2-methyl-5-phenylpyrrol-1-yl]quinolin-4-amine
CID 174570186
1-N,4-N-bis(7-chloroquinolin-4-yl)piperazine-1,4-diamine
CID 591300
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
7-chloro-N-[3-(diethylaminomethyl)-4-morpholin-4-ylphenyl]quinolin-4-amine
CID 71717162
N-(2,5-dimethylpyrrol-1-yl)quinolin-4-amine
CID 79106887
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
2-(4-chlorophenyl)sulfanyl-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol
CID 547239
7-chloro-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]quinolin-4-amine
CID 5027998
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
1-[2-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl-ethylamino]ethyl]-3-phenylthiourea
CID 44613084

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine (CID 16719030) is 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine is CCN(CC)Cc1cc(C)n(Nc2ccnc3cc(Cl)ccc23)c1-c1ccccc1.
What is the InChIKey of 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine?
The InChIKey is IUSSIVJPHOHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4/c1-4-29(5-2)17-20-15-18(3)30(25(20)19-9-7-6-8-10-19)28-23-13-14-27-24-16-21(26)11-12-22(23)24/h6-16H,4-5,17H2,1-3H3,(H,27,28).
What are the key properties of 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine?
7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine has a molecular weight of 418.97 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(diethylaminomethyl)-5-methyl-2-phenylpyrrol-1-yl]quinolin-4-amine is sourced from PubChem (CID 16719030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).