6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one

C22H21N3O — CID 137028486

IUPAC6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one
SMILESCCN(CC)c1ccc2nc(-c3cccc4ccccc34)[nH]c(=O)c2c1
InChIInChI=1S/C22H21N3O/c1-3-25(4-2)16-12-13-20-19(14-16)22(26)24-21(23-20)18-11-7-9-15-8-5-6-10-17(15)18/h5-14H,3-4H2,1-2H3,(H,23,24,26)
InChIKeyFSZIGSRNBZEODQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.59
Rot. Bonds4

About 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one

6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one (PubChem CID 137028486) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one
PubChem CID137028486
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one
SMILESCCN(CC)c1ccc2nc(-c3cccc4ccccc34)[nH]c(=O)c2c1
InChIInChI=1S/C22H21N3O/c1-3-25(4-2)16-12-13-20-19(14-16)22(26)24-21(23-20)18-11-7-9-15-8-5-6-10-17(15)18/h5-14H,3-4H2,1-2H3,(H,23,24,26)
InChIKeyFSZIGSRNBZEODQ-UHFFFAOYSA-N
XLogP4.59
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one?
The IUPAC name of 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one (CID 137028486) is 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one is CCN(CC)c1ccc2nc(-c3cccc4ccccc34)[nH]c(=O)c2c1.
What is the InChIKey of 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one?
The InChIKey is FSZIGSRNBZEODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-3-25(4-2)16-12-13-20-19(14-16)22(26)24-21(23-20)18-11-7-9-15-8-5-6-10-17(15)18/h5-14H,3-4H2,1-2H3,(H,23,24,26).
What are the key properties of 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one?
6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one has a molecular weight of 343.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 137028486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).