7-chloro-4-(1-phenylpyrazol-4-yl)quinoline

C18H12ClN3 — CID 70687763

IUPAC7-chloro-4-(1-phenylpyrazol-4-yl)quinoline
SMILESClc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C18H12ClN3/c19-14-6-7-17-16(8-9-20-18(17)10-14)13-11-21-22(12-13)15-4-2-1-3-5-15/h1-12H
InChIKeyCDYAULNOJRPJMB-UHFFFAOYSA-N
MW305.77 g/mol
LogP4.74
Rot. Bonds2

About 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline

7-chloro-4-(1-phenylpyrazol-4-yl)quinoline (PubChem CID 70687763) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(1-phenylpyrazol-4-yl)quinoline
PubChem CID70687763
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name7-chloro-4-(1-phenylpyrazol-4-yl)quinoline
SMILESClc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C18H12ClN3/c19-14-6-7-17-16(8-9-20-18(17)10-14)13-11-21-22(12-13)15-4-2-1-3-5-15/h1-12H
InChIKeyCDYAULNOJRPJMB-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 54.74
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-phenylpyrazol-4-yl)quinoline?
The IUPAC name of 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline (CID 70687763) is 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline.
What is the SMILES notation for 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline?
The canonical SMILES for 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline is Clc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1.
What is the InChIKey of 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline?
The InChIKey is CDYAULNOJRPJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-14-6-7-17-16(8-9-20-18(17)10-14)13-11-21-22(12-13)15-4-2-1-3-5-15/h1-12H.
What are the key properties of 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline?
7-chloro-4-(1-phenylpyrazol-4-yl)quinoline has a molecular weight of 305.77 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(1-phenylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70687763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).