3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile

C24H14N4O2 — CID 170773098

IUPAC3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(=O)n(-c4cncc5ccccc45)c(=O)[nH]c3c2)c1
InChIInChI=1S/C24H14N4O2/c25-12-15-4-3-6-16(10-15)17-8-9-20-21(11-17)27-24(30)28(23(20)29)22-14-26-13-18-5-1-2-7-19(18)22/h1-11,13-14H,(H,27,30)
InChIKeyHHXCVHAUCGBNQZ-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.77
Rot. Bonds2

About 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile

3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile (PubChem CID 170773098) has the molecular formula C24H14N4O2 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
PubChem CID170773098
Molecular FormulaC24H14N4O2
Molecular Weight390.40 g/mol
Exact Mass390.11
IUPAC Name3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(=O)n(-c4cncc5ccccc45)c(=O)[nH]c3c2)c1
InChIInChI=1S/C24H14N4O2/c25-12-15-4-3-6-16(10-15)17-8-9-20-21(11-17)27-24(30)28(23(20)29)22-14-26-13-18-5-1-2-7-19(18)22/h1-11,13-14H,(H,27,30)
InChIKeyHHXCVHAUCGBNQZ-UHFFFAOYSA-N
XLogP3.77
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
CID 175627262
4-[3-chloro-2-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)phenyl]-1-methylpyrazole-3-carbonitrile
CID 170772778
7-(2-chloro-6-fluorophenyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772233
7-(5-chloro-2-methoxy-4-pyridinyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170773339
7-(2-chloro-3-fluoro-5-methoxyphenyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772694
7-(2-chlorophenyl)-3-(6-methylisoquinolin-4-yl)-1H-quinazoline-2,4-dione
CID 170773275
7-[2-chloro-6-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170773796
6-(difluoromethyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 166085950
7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 175627384
7-[2-chloro-6-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772371
6-(1,1-difluoroethyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 166085752
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204

Frequently Asked Questions

What is the IUPAC name of 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile?
The IUPAC name of 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile (CID 170773098) is 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile.
What is the SMILES notation for 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile?
The canonical SMILES for 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile is N#Cc1cccc(-c2ccc3c(=O)n(-c4cncc5ccccc45)c(=O)[nH]c3c2)c1.
What is the InChIKey of 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile?
The InChIKey is HHXCVHAUCGBNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O2/c25-12-15-4-3-6-16(10-15)17-8-9-20-21(11-17)27-24(30)28(23(20)29)22-14-26-13-18-5-1-2-7-19(18)22/h1-11,13-14H,(H,27,30).
What are the key properties of 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile?
3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile has a molecular weight of 390.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile is sourced from PubChem (CID 170773098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).