3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione

C27H17N3O2 — CID 170773945

IUPAC3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccc4ccccc4c3)ccc2c(=O)n1-c1cncc2ccccc12
InChIInChI=1S/C27H17N3O2/c31-26-23-12-11-20(19-10-9-17-5-1-2-6-18(17)13-19)14-24(23)29-27(32)30(26)25-16-28-15-21-7-3-4-8-22(21)25/h1-16H,(H,29,32)
InChIKeyKOIPPLBGGGGGTG-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.05
Rot. Bonds2

About 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione

3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione (PubChem CID 170773945) has the molecular formula C27H17N3O2 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione
PubChem CID170773945
Molecular FormulaC27H17N3O2
Molecular Weight415.45 g/mol
Exact Mass415.13
IUPAC Name3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccc4ccccc4c3)ccc2c(=O)n1-c1cncc2ccccc12
InChIInChI=1S/C27H17N3O2/c31-26-23-12-11-20(19-10-9-17-5-1-2-6-18(17)13-19)14-24(23)29-27(32)30(26)25-16-28-15-21-7-3-4-8-22(21)25/h1-16H,(H,29,32)
InChIKeyKOIPPLBGGGGGTG-UHFFFAOYSA-N
XLogP5.05
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
CID 170773098
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
6-(difluoromethyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 166085950
6-(1,1-difluoroethyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 166085752
7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione
CID 170772873
7-[2-chloro-6-(1-ethyl-3-methylpyrazol-4-yl)phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170773796
7-[2-chloro-6-(5-morpholin-4-yl-3-pyridinyl)phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170773095
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-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772371

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione (CID 170773945) is 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(-c3ccc4ccccc4c3)ccc2c(=O)n1-c1cncc2ccccc12.
What is the InChIKey of 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione?
The InChIKey is KOIPPLBGGGGGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O2/c31-26-23-12-11-20(19-10-9-17-5-1-2-6-18(17)13-19)14-24(23)29-27(32)30(26)25-16-28-15-21-7-3-4-8-22(21)25/h1-16H,(H,29,32).
What are the key properties of 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione?
3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione has a molecular weight of 415.45 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 170773945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).