7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine

C19H14ClN3S — CID 71458169

IUPAC7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3nc(-c4ccccc4)cs3)ccnc2c1
InChIInChI=1S/C19H14ClN3S/c20-14-6-7-15-16(8-9-21-17(15)10-14)22-11-19-23-18(12-24-19)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,22)
InChIKeyBLNXBWKCOKEJTC-UHFFFAOYSA-N
MW351.86 g/mol
LogP5.62
Rot. Bonds4

About 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine

7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine (PubChem CID 71458169) has the molecular formula C19H14ClN3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine
PubChem CID71458169
Molecular FormulaC19H14ClN3S
Molecular Weight351.86 g/mol
Exact Mass351.06
IUPAC Name7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine
SMILESClc1ccc2c(NCc3nc(-c4ccccc4)cs3)ccnc2c1
InChIInChI=1S/C19H14ClN3S/c20-14-6-7-15-16(8-9-21-17(15)10-14)22-11-19-23-18(12-24-19)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,22)
InChIKeyBLNXBWKCOKEJTC-UHFFFAOYSA-N
XLogP5.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine (CID 71458169) is 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine is Clc1ccc2c(NCc3nc(-c4ccccc4)cs3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine?
The InChIKey is BLNXBWKCOKEJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3S/c20-14-6-7-15-16(8-9-21-17(15)10-14)22-11-19-23-18(12-24-19)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,22).
What are the key properties of 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine?
7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine has a molecular weight of 351.86 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 71458169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).