N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine

C25H24ClN3O2S — CID 70014889

IUPACN-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ccnc3cc(-c4csc(CN5CCOCC5)c4)ccc23)c1
InChIInChI=1S/C25H24ClN3O2S/c1-30-19-3-5-22(26)25(14-19)28-23-6-7-27-24-13-17(2-4-21(23)24)18-12-20(32-16-18)15-29-8-10-31-11-9-29/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28)
InChIKeyOTUQYCAXJUCKCC-UHFFFAOYSA-N
MW466.01 g/mol
LogP6.20
Rot. Bonds6

About N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine

N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine (PubChem CID 70014889) has the molecular formula C25H24ClN3O2S and a molecular weight of 466.01 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine
PubChem CID70014889
Molecular FormulaC25H24ClN3O2S
Molecular Weight466.01 g/mol
Exact Mass465.13
IUPAC NameN-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ccnc3cc(-c4csc(CN5CCOCC5)c4)ccc23)c1
InChIInChI=1S/C25H24ClN3O2S/c1-30-19-3-5-22(26)25(14-19)28-23-6-7-27-24-13-17(2-4-21(23)24)18-12-20(32-16-18)15-29-8-10-31-11-9-29/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28)
InChIKeyOTUQYCAXJUCKCC-UHFFFAOYSA-N
XLogP6.20
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.01
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine with MolForge

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Related Compounds

7-Thienyl-3-quinolinecarbonitrile 8
CID 5330094
7-Thienyl-3-quinolinecarbonitrile 9
CID 5330095
7-Thienyl-3-quinolinecarbonitrile 10
CID 5330096
7-Thienyl-3-quinolinecarbonitrile 11
CID 5330097
7-Thienyl-3-quinolinecarbonitrile 12
CID 5330098
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-{5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl}quinoline-3-carbonitrile
CID 5330099
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-{5-[(4-hydroxypiperidin-1-yl)methyl]thiophen-3-yl}quinoline-3-carbonitrile
CID 5330100
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-{5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl}quinoline-3-carbonitrile
CID 5330101
7-Thienyl-3-quinolinecarbonitrile 20
CID 5330105
Ethenyl-4-phenylamino-3-quinolinecarbonitrile 6a
CID 5330485
Thieno[3,2-b]pyridine-6-carbonitrile 22
CID 5330413
7-Thienyl-3-quinolinecarbonitrile 17
CID 5330102

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine (CID 70014889) is N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine is COc1ccc(Cl)c(Nc2ccnc3cc(-c4csc(CN5CCOCC5)c4)ccc23)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine?
The InChIKey is OTUQYCAXJUCKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2S/c1-30-19-3-5-22(26)25(14-19)28-23-6-7-27-24-13-17(2-4-21(23)24)18-12-20(32-16-18)15-29-8-10-31-11-9-29/h2-7,12-14,16H,8-11,15H2,1H3,(H,27,28).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine?
N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine has a molecular weight of 466.01 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinolin-4-amine is sourced from PubChem (CID 70014889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).