(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C18H20N2O3 — CID 9009021

IUPAC(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O
InChIInChI=1S/C18H20N2O3/c1-3-11-20-17(13-8-6-10-15(23-2)16(13)21)19-14-9-5-4-7-12(14)18(20)22/h4-10,17,19,21H,3,11H2,1-2H3/t17-/m0/s1
InChIKeyGMGZEMQYJCAQDA-KRWDZBQOSA-N
MW312.37 g/mol
LogP3.38
Rot. Bonds4

About (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 9009021) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID9009021
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O
InChIInChI=1S/C18H20N2O3/c1-3-11-20-17(13-8-6-10-15(23-2)16(13)21)19-14-9-5-4-7-12(14)18(20)22/h4-10,17,19,21H,3,11H2,1-2H3/t17-/m0/s1
InChIKeyGMGZEMQYJCAQDA-KRWDZBQOSA-N
XLogP3.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009018
(2S)-2-(2,3-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009187
(2S)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009221
(2R)-2-(3-methoxy-2-propan-2-yloxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009148
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3245937
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
(2R)-2-(3-ethoxy-2-hydroxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007058
2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 17396250
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
2-[2-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778169
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 9009021) is (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(OC)c1O.
What is the InChIKey of (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is GMGZEMQYJCAQDA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-11-20-17(13-8-6-10-15(23-2)16(13)21)19-14-9-5-4-7-12(14)18(20)22/h4-10,17,19,21H,3,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 312.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9009021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).