2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline

C31H20N4 — CID 129040100

IUPAC2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5ccc6ccccc6n5n4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C31H20N4/c1-2-8-21(9-3-1)22-14-16-24(17-15-22)30-26-11-5-6-12-27(26)32-31(33-30)28-20-25-19-18-23-10-4-7-13-29(23)35(25)34-28/h1-20H
InChIKeyNOPSQRRXJOOPSH-UHFFFAOYSA-N
MW448.53 g/mol
LogP7.43
Rot. Bonds3

About 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline

2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline (PubChem CID 129040100) has the molecular formula C31H20N4 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline
PubChem CID129040100
Molecular FormulaC31H20N4
Molecular Weight448.53 g/mol
Exact Mass448.17
IUPAC Name2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cc5ccc6ccccc6n5n4)nc4ccccc34)cc2)cc1
InChIInChI=1S/C31H20N4/c1-2-8-21(9-3-1)22-14-16-24(17-15-22)30-26-11-5-6-12-27(26)32-31(33-30)28-20-25-19-18-23-10-4-7-13-29(23)35(25)34-28/h1-20H
InChIKeyNOPSQRRXJOOPSH-UHFFFAOYSA-N
XLogP7.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180197
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-(4,6-diphenylpyrimidin-2-yl)pyrazolo[1,5-a]quinoline;2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]pyrazolo[1,5-a]quinoline;2-[4-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-2-pyridinyl]pyrazolo[1,5-a]quinoline
CID 159044227
2-(4-phenanthren-2-ylphenyl)-4-[4-[2-(4-phenanthren-2-ylphenyl)quinazolin-4-yl]phenyl]quinazoline
CID 163813527
2-phenyl-3-triphenylen-2-ylpyrazolo[1,5-a]quinoline
CID 129040255
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline?
The IUPAC name of 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline (CID 129040100) is 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline is c1ccc(-c2ccc(-c3nc(-c4cc5ccc6ccccc6n5n4)nc4ccccc34)cc2)cc1.
What is the InChIKey of 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline?
The InChIKey is NOPSQRRXJOOPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N4/c1-2-8-21(9-3-1)22-14-16-24(17-15-22)30-26-11-5-6-12-27(26)32-31(33-30)28-20-25-19-18-23-10-4-7-13-29(23)35(25)34-28/h1-20H.
What are the key properties of 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline?
2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline has a molecular weight of 448.53 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylphenyl)quinazolin-2-yl]pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 129040100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).