4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline

C28H18N4 — CID 167146078

IUPAC4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cncc5ccccc45)c3)c3ccccc3n2)nc1
InChIInChI=1S/C28H18N4/c1-2-11-22-21(8-1)17-29-18-24(22)19-9-7-10-20(16-19)27-23-12-3-4-13-25(23)31-28(32-27)26-14-5-6-15-30-26/h1-18H
InChIKeyAWGBFNDZAZIHDS-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.57
Rot. Bonds3

About 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline

4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline (PubChem CID 167146078) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline.

Molecular Properties

Compound Name4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline
PubChem CID167146078
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4cncc5ccccc45)c3)c3ccccc3n2)nc1
InChIInChI=1S/C28H18N4/c1-2-11-22-21(8-1)17-29-18-24(22)19-9-7-10-20(16-19)27-23-12-3-4-13-25(23)31-28(32-27)26-14-5-6-15-30-26/h1-18H
InChIKeyAWGBFNDZAZIHDS-UHFFFAOYSA-N
XLogP6.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-pyridin-2-ylquinazolin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 165025501
4-[2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]isoquinoline
CID 118314052
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
2-[3-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732312
4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline
CID 59273800
22-[4-[3-[6-(3-phenylphenyl)-2-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-[6-(4-phenylphenyl)-2-pyridin-2-ylpyrimidin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 162035485
2-[3-(4-phenylquinazolin-2-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732230
[3-[2-isoquinolin-4-yl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]boronic acid
CID 123998019
2-(2,5-dimethyl-4-pyridinyl)-4-[3-[2-(2,5-dimethyl-4-pyridinyl)quinazolin-4-yl]phenyl]quinazoline
CID 167607453
2-[2-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171731983
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
3-isoquinolin-4-ylaniline
CID 22724137

Frequently Asked Questions

What is the IUPAC name of 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline?
The IUPAC name of 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline (CID 167146078) is 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline.
What is the SMILES notation for 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline?
The canonical SMILES for 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline is c1ccc(-c2nc(-c3cccc(-c4cncc5ccccc45)c3)c3ccccc3n2)nc1.
What is the InChIKey of 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline?
The InChIKey is AWGBFNDZAZIHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-2-11-22-21(8-1)17-29-18-24(22)19-9-7-10-20(16-19)27-23-12-3-4-13-25(23)31-28(32-27)26-14-5-6-15-30-26/h1-18H.
What are the key properties of 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline?
4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline has a molecular weight of 410.48 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline is sourced from PubChem (CID 167146078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).