2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline

C30H19N5 — CID 141121734

IUPAC2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline
SMILESc1c[nH]c(-c2cccc3nc(-c4nccc5ccccc45)nc(-c4ccc5ccccc5n4)c23)c1
InChIInChI=1S/C30H19N5/c1-3-9-21-19(7-1)16-18-32-28(21)30-34-25-12-5-10-22(24-13-6-17-31-24)27(25)29(35-30)26-15-14-20-8-2-4-11-23(20)33-26/h1-18,31H
InChIKeyFSSPAKQWHAPMQL-UHFFFAOYSA-N
MW449.52 g/mol
LogP7.06
Rot. Bonds3

About 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline

2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline (PubChem CID 141121734) has the molecular formula C30H19N5 and a molecular weight of 449.52 g/mol. Its IUPAC name is 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline.

Molecular Properties

Compound Name2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline
PubChem CID141121734
Molecular FormulaC30H19N5
Molecular Weight449.52 g/mol
Exact Mass449.16
IUPAC Name2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline
SMILESc1c[nH]c(-c2cccc3nc(-c4nccc5ccccc45)nc(-c4ccc5ccccc5n4)c23)c1
InChIInChI=1S/C30H19N5/c1-3-9-21-19(7-1)16-18-32-28(21)30-34-25-12-5-10-22(24-13-6-17-31-24)27(25)29(35-30)26-15-14-20-8-2-4-11-23(20)33-26/h1-18,31H
InChIKeyFSSPAKQWHAPMQL-UHFFFAOYSA-N
XLogP7.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.52
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-naphthalen-1-yl-4-phenanthren-1-yl-2-phenyl-5-pyren-1-yl-6-quinolin-2-ylphenyl)isoquinoline
CID 141096360
8-(3,4-dihydro-2H-quinolin-1-yl)-1-isoquinolin-1-yl-6-naphthalen-1-yl-5-(1H-pyrrol-2-yl)-7-quinolin-2-yl-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phthalazine
CID 141121046
2-[5-(1,2-benzothiazol-3-yl)-3-(1,2-benzoxazol-3-yl)-6-(1H-pyrrol-2-yl)-1-quinolin-2-ylisoquinolin-4-yl]-1,3-benzoxazole
CID 141195752
1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
CID 54062793
2-naphthalen-1-yl-4,7-di(quinolin-2-yl)-1,10-phenanthroline
CID 163663033
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 160610851
6-isoquinolin-1-yl-1,3,5-triazine-2,4-diamine
CID 10130944
iridium;3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;1-phenylisoquinoline
CID 59621766
3-pyridin-2-yl-2-(1H-pyrrol-2-yl)quinoline
CID 140974379
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63949235
2-(1H-pyrrol-2-yl)pyridine;quinoline
CID 174826591
6-isoquinolin-1-yl-1H-pyridin-2-one
CID 163399780

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline?
The IUPAC name of 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline (CID 141121734) is 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline.
What is the SMILES notation for 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline?
The canonical SMILES for 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline is c1c[nH]c(-c2cccc3nc(-c4nccc5ccccc45)nc(-c4ccc5ccccc5n4)c23)c1.
What is the InChIKey of 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline?
The InChIKey is FSSPAKQWHAPMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N5/c1-3-9-21-19(7-1)16-18-32-28(21)30-34-25-12-5-10-22(24-13-6-17-31-24)27(25)29(35-30)26-15-14-20-8-2-4-11-23(20)33-26/h1-18,31H.
What are the key properties of 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline?
2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline has a molecular weight of 449.52 g/mol, XLogP of 7.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline is sourced from PubChem (CID 141121734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).