2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C19H22N2O3 — CID 2887735

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(O)c(OCC)c1
InChIInChI=1S/C19H22N2O3/c1-3-11-21-18(13-9-10-16(22)17(12-13)24-4-2)20-15-8-6-5-7-14(15)19(21)23/h5-10,12,18,20,22H,3-4,11H2,1-2H3
InChIKeyIFDHPVUYHKWBBF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.77
Rot. Bonds5

About 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 2887735) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID2887735
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(O)c(OCC)c1
InChIInChI=1S/C19H22N2O3/c1-3-11-21-18(13-9-10-16(22)17(12-13)24-4-2)20-15-8-6-5-7-14(15)19(21)23/h5-10,12,18,20,22H,3-4,11H2,1-2H3
InChIKeyIFDHPVUYHKWBBF-UHFFFAOYSA-N
XLogP3.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
3-Methoxy-O-demethylencainide
CID 54737
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
1,2-Dihydro-2-(3,4-(methylenedioxy)-phenyl)-4(3H)-quinazolinone
CID 650393
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
CID 624917
3-(4-Ethoxyphenyl)-2-ethyl-2-methyl-1,2,3-trihydroquinazolin-4-one
CID 4423590
2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
quin-C7
CID 11647668
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301
3-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
CID 866361
2-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one
CID 653058

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 2887735) is 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1ccc(O)c(OCC)c1.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is IFDHPVUYHKWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-11-21-18(13-9-10-16(22)17(12-13)24-4-2)20-15-8-6-5-7-14(15)19(21)23/h5-10,12,18,20,22H,3-4,11H2,1-2H3.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 326.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2887735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).