7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine

C30H23ClN4 — CID 171353631

IUPAC7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine
SMILESClc1ccc2c(Nc3ccc(C4=NN(c5ccccc5)C(c5ccccc5)C4)cc3)ccnc2c1
InChIInChI=1S/C30H23ClN4/c31-23-13-16-26-27(17-18-32-29(26)19-23)33-24-14-11-21(12-15-24)28-20-30(22-7-3-1-4-8-22)35(34-28)25-9-5-2-6-10-25/h1-19,30H,20H2,(H,32,33)
InChIKeyAVYCHTQXMJLYHR-UHFFFAOYSA-N
MW475.00 g/mol
LogP7.99
Rot. Bonds5

About 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine

7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine (PubChem CID 171353631) has the molecular formula C30H23ClN4 and a molecular weight of 475.00 g/mol. Its IUPAC name is 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine
PubChem CID171353631
Molecular FormulaC30H23ClN4
Molecular Weight475.00 g/mol
Exact Mass474.16
IUPAC Name7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine
SMILESClc1ccc2c(Nc3ccc(C4=NN(c5ccccc5)C(c5ccccc5)C4)cc3)ccnc2c1
InChIInChI=1S/C30H23ClN4/c31-23-13-16-26-27(17-18-32-29(26)19-23)33-24-14-11-21(12-15-24)28-20-30(22-7-3-1-4-8-22)35(34-28)25-9-5-2-6-10-25/h1-19,30H,20H2,(H,32,33)
InChIKeyAVYCHTQXMJLYHR-UHFFFAOYSA-N
XLogP7.99
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.00
LogP ≤ 57.99
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-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine (CID 171353631) is 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine is Clc1ccc2c(Nc3ccc(C4=NN(c5ccccc5)C(c5ccccc5)C4)cc3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine?
The InChIKey is AVYCHTQXMJLYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN4/c31-23-13-16-26-27(17-18-32-29(26)19-23)33-24-14-11-21(12-15-24)28-20-30(22-7-3-1-4-8-22)35(34-28)25-9-5-2-6-10-25/h1-19,30H,20H2,(H,32,33).
What are the key properties of 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine?
7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine has a molecular weight of 475.00 g/mol, XLogP of 7.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]quinolin-4-amine is sourced from PubChem (CID 171353631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).