7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine

C19H17ClN4S — CID 171356472

IUPAC7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine
SMILESCc1ccsc1-c1cncn1CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN4S/c1-13-5-9-25-19(13)18-11-21-12-24(18)8-7-23-16-4-6-22-17-10-14(20)2-3-15(16)17/h2-6,9-12H,7-8H2,1H3,(H,22,23)
InChIKeyWQAWNGKDRVSUGU-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.23
Rot. Bonds5

About 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine

7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine (PubChem CID 171356472) has the molecular formula C19H17ClN4S and a molecular weight of 368.89 g/mol. Its IUPAC name is 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine
PubChem CID171356472
Molecular FormulaC19H17ClN4S
Molecular Weight368.89 g/mol
Exact Mass368.09
IUPAC Name7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine
SMILESCc1ccsc1-c1cncn1CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN4S/c1-13-5-9-25-19(13)18-11-21-12-24(18)8-7-23-16-4-6-22-17-10-14(20)2-3-15(16)17/h2-6,9-12H,7-8H2,1H3,(H,22,23)
InChIKeyWQAWNGKDRVSUGU-UHFFFAOYSA-N
XLogP5.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine (CID 171356472) is 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine is Cc1ccsc1-c1cncn1CCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine?
The InChIKey is WQAWNGKDRVSUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4S/c1-13-5-9-25-19(13)18-11-21-12-24(18)8-7-23-16-4-6-22-17-10-14(20)2-3-15(16)17/h2-6,9-12H,7-8H2,1H3,(H,22,23).
What are the key properties of 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine?
7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine has a molecular weight of 368.89 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[5-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]quinolin-4-amine is sourced from PubChem (CID 171356472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).