6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine

C21H15ClN4S — CID 155348863

IUPAC6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine
SMILESCc1cnc(-c2ccc3[nH]cc(Nc4ccc5cc(Cl)ccc5n4)c3c2)s1
InChIInChI=1S/C21H15ClN4S/c1-12-10-24-21(27-12)14-2-5-18-16(9-14)19(11-23-18)26-20-7-3-13-8-15(22)4-6-17(13)25-20/h2-11,23H,1H3,(H,25,26)
InChIKeyLUKVUMBHXQCPPO-UHFFFAOYSA-N
MW390.90 g/mol
LogP6.55
Rot. Bonds3

About 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine

6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine (PubChem CID 155348863) has the molecular formula C21H15ClN4S and a molecular weight of 390.90 g/mol. Its IUPAC name is 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine
PubChem CID155348863
Molecular FormulaC21H15ClN4S
Molecular Weight390.90 g/mol
Exact Mass390.07
IUPAC Name6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine
SMILESCc1cnc(-c2ccc3[nH]cc(Nc4ccc5cc(Cl)ccc5n4)c3c2)s1
InChIInChI=1S/C21H15ClN4S/c1-12-10-24-21(27-12)14-2-5-18-16(9-14)19(11-23-18)26-20-7-3-13-8-15(22)4-6-17(13)25-20/h2-11,23H,1H3,(H,25,26)
InChIKeyLUKVUMBHXQCPPO-UHFFFAOYSA-N
XLogP6.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine?
The IUPAC name of 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine (CID 155348863) is 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine.
What is the SMILES notation for 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine?
The canonical SMILES for 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine is Cc1cnc(-c2ccc3[nH]cc(Nc4ccc5cc(Cl)ccc5n4)c3c2)s1.
What is the InChIKey of 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine?
The InChIKey is LUKVUMBHXQCPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4S/c1-12-10-24-21(27-12)14-2-5-18-16(9-14)19(11-23-18)26-20-7-3-13-8-15(22)4-6-17(13)25-20/h2-11,23H,1H3,(H,25,26).
What are the key properties of 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine?
6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine has a molecular weight of 390.90 g/mol, XLogP of 6.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]quinolin-2-amine is sourced from PubChem (CID 155348863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).