3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one

C25H19N3O — CID 135154785

IUPAC3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one
SMILESCCc1ccc2cc(-n3c(-c4cccnc4)nc4ccccc4c3=O)ccc2c1
InChIInChI=1S/C25H19N3O/c1-2-17-9-10-19-15-21(12-11-18(19)14-17)28-24(20-6-5-13-26-16-20)27-23-8-4-3-7-22(23)25(28)29/h3-16H,2H2,1H3
InChIKeyGKWAUVBKAUGYGC-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.16
Rot. Bonds3

About 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one

3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one (PubChem CID 135154785) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one
PubChem CID135154785
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one
SMILESCCc1ccc2cc(-n3c(-c4cccnc4)nc4ccccc4c3=O)ccc2c1
InChIInChI=1S/C25H19N3O/c1-2-17-9-10-19-15-21(12-11-18(19)14-17)28-24(20-6-5-13-26-16-20)27-23-8-4-3-7-22(23)25(28)29/h3-16H,2H2,1H3
InChIKeyGKWAUVBKAUGYGC-UHFFFAOYSA-N
XLogP5.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one (CID 135154785) is 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one is CCc1ccc2cc(-n3c(-c4cccnc4)nc4ccccc4c3=O)ccc2c1.
What is the InChIKey of 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one?
The InChIKey is GKWAUVBKAUGYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-2-17-9-10-19-15-21(12-11-18(19)14-17)28-24(20-6-5-13-26-16-20)27-23-8-4-3-7-22(23)25(28)29/h3-16H,2H2,1H3.
What are the key properties of 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one?
3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one has a molecular weight of 377.45 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethylnaphthalen-2-yl)-2-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 135154785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).