3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one

C19H21N3O2 — CID 56683676

IUPAC3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESCC1Nc2ccc(N3CCCC3)cc2C(=O)N1c1cccc(O)c1
InChIInChI=1S/C19H21N3O2/c1-13-20-18-8-7-14(21-9-2-3-10-21)12-17(18)19(24)22(13)15-5-4-6-16(23)11-15/h4-8,11-13,20,23H,2-3,9-10H2,1H3
InChIKeyRQGWOUZYWVQTNY-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.41
Rot. Bonds2

About 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one

3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one (PubChem CID 56683676) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
PubChem CID56683676
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one
SMILESCC1Nc2ccc(N3CCCC3)cc2C(=O)N1c1cccc(O)c1
InChIInChI=1S/C19H21N3O2/c1-13-20-18-8-7-14(21-9-2-3-10-21)12-17(18)19(24)22(13)15-5-4-6-16(23)11-15/h4-8,11-13,20,23H,2-3,9-10H2,1H3
InChIKeyRQGWOUZYWVQTNY-UHFFFAOYSA-N
XLogP3.41
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one (CID 56683676) is 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one is CC1Nc2ccc(N3CCCC3)cc2C(=O)N1c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is RQGWOUZYWVQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-20-18-8-7-14(21-9-2-3-10-21)12-17(18)19(24)22(13)15-5-4-6-16(23)11-15/h4-8,11-13,20,23H,2-3,9-10H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one?
3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-methyl-6-pyrrolidin-1-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 56683676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).