7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline

C15H14ClN3 — CID 155962686

IUPAC7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline
SMILESCc1cc2c(-c3cn(C)nc3C)ccnc2cc1Cl
InChIInChI=1S/C15H14ClN3/c1-9-6-12-11(13-8-19(3)18-10(13)2)4-5-17-15(12)7-14(9)16/h4-8H,1-3H3
InChIKeyUAFANILOSYMMPT-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.91
Rot. Bonds1

About 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline

7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline (PubChem CID 155962686) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline.

Molecular Properties

Compound Name7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline
PubChem CID155962686
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline
SMILESCc1cc2c(-c3cn(C)nc3C)ccnc2cc1Cl
InChIInChI=1S/C15H14ClN3/c1-9-6-12-11(13-8-19(3)18-10(13)2)4-5-17-15(12)7-14(9)16/h4-8H,1-3H3
InChIKeyUAFANILOSYMMPT-UHFFFAOYSA-N
XLogP3.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline?
The IUPAC name of 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline (CID 155962686) is 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline.
What is the SMILES notation for 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline?
The canonical SMILES for 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline is Cc1cc2c(-c3cn(C)nc3C)ccnc2cc1Cl.
What is the InChIKey of 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline?
The InChIKey is UAFANILOSYMMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-6-12-11(13-8-19(3)18-10(13)2)4-5-17-15(12)7-14(9)16/h4-8H,1-3H3.
What are the key properties of 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline?
7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline has a molecular weight of 271.75 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(1,3-dimethylpyrazol-4-yl)-6-methylquinoline is sourced from PubChem (CID 155962686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).