2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one

C19H18N2O2 — CID 168553019

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one
SMILESCC1(C)CCc2cc(-c3nc4ccccc4c(=O)[nH]3)ccc2O1
InChIInChI=1S/C19H18N2O2/c1-19(2)10-9-12-11-13(7-8-16(12)23-19)17-20-15-6-4-3-5-14(15)18(22)21-17/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyOWBYIHMZNSFALB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.69
Rot. Bonds1

About 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one

2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one (PubChem CID 168553019) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one
PubChem CID168553019
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one
SMILESCC1(C)CCc2cc(-c3nc4ccccc4c(=O)[nH]3)ccc2O1
InChIInChI=1S/C19H18N2O2/c1-19(2)10-9-12-11-13(7-8-16(12)23-19)17-20-15-6-4-3-5-14(15)18(22)21-17/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyOWBYIHMZNSFALB-UHFFFAOYSA-N
XLogP3.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-3H-quinazolin-4-one
CID 168553146
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2-[4-[1-(dimethylamino)ethyl]phenyl]-3H-quinazolin-4-one
CID 168550887
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one (CID 168553019) is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one is CC1(C)CCc2cc(-c3nc4ccccc4c(=O)[nH]3)ccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one?
The InChIKey is OWBYIHMZNSFALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-19(2)10-9-12-11-13(7-8-16(12)23-19)17-20-15-6-4-3-5-14(15)18(22)21-17/h3-8,11H,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one?
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one has a molecular weight of 306.37 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).