7-(diethylamino)-3-quinazolin-4-ylchromen-2-one

C21H19N3O2 — CID 169224187

IUPAC7-(diethylamino)-3-quinazolin-4-ylchromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ncnc4ccccc34)c(=O)oc2c1
InChIInChI=1S/C21H19N3O2/c1-3-24(4-2)15-10-9-14-11-17(21(25)26-19(14)12-15)20-16-7-5-6-8-18(16)22-13-23-20/h5-13H,3-4H2,1-2H3
InChIKeyZCQXGOPCEZGQCR-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.25
Rot. Bonds4

About 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one

7-(diethylamino)-3-quinazolin-4-ylchromen-2-one (PubChem CID 169224187) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-quinazolin-4-ylchromen-2-one
PubChem CID169224187
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name7-(diethylamino)-3-quinazolin-4-ylchromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ncnc4ccccc34)c(=O)oc2c1
InChIInChI=1S/C21H19N3O2/c1-3-24(4-2)15-10-9-14-11-17(21(25)26-19(14)12-15)20-16-7-5-6-8-18(16)22-13-23-20/h5-13H,3-4H2,1-2H3
InChIKeyZCQXGOPCEZGQCR-UHFFFAOYSA-N
XLogP4.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-(diethylamino)-3-(3-methylphenyl)chromen-2-one
CID 87585315
3-(3-chlorophenyl)-7-(diethylamino)chromen-2-one
CID 3518661
7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one
CID 58612991
7-(diethylamino)-3-pyridin-3-ylchromen-2-one
CID 89474400
7-(diethylamino)-3-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 136748921
7-(diethylamino)-3-(1,3,4-oxadiazol-2-yl)chromen-2-one
CID 10708251
7-(diethylamino)-3-(5-methyl-1,3,4-thiadiazol-2-yl)chromen-2-one
CID 10519425
7-(diethylamino)-3-(2,4-dimethylphenyl)chromen-2-one
CID 71659817
7-(diethylamino)-3-pyridin-1-ium-4-ylchromen-2-one;ethane
CID 142382157
3-(2-amino-1,3-thiazol-4-yl)-7-(diethylamino)chromen-2-one
CID 13126342
4-[7-(diethylamino)-2-oxochromen-3-yl]benzonitrile
CID 19090609
7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one
CID 15686898

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one?
The IUPAC name of 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one (CID 169224187) is 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one is CCN(CC)c1ccc2cc(-c3ncnc4ccccc34)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one?
The InChIKey is ZCQXGOPCEZGQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-24(4-2)15-10-9-14-11-17(21(25)26-19(14)12-15)20-16-7-5-6-8-18(16)22-13-23-20/h5-13H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one?
7-(diethylamino)-3-quinazolin-4-ylchromen-2-one has a molecular weight of 345.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-quinazolin-4-ylchromen-2-one is sourced from PubChem (CID 169224187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).