3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one

C21H26N2O3 — CID 54779195

IUPAC3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1cccc(OCC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-15(2)14-26-17-8-6-7-16(13-17)20-22-19-10-5-4-9-18(19)21(24)23(20)11-12-25-3/h4-10,13,15,20,22H,11-12,14H2,1-3H3
InChIKeyQFVUPIQPONFCFP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.93
Rot. Bonds7

About 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one

3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 54779195) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID54779195
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1cccc(OCC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-15(2)14-26-17-8-6-7-16(13-17)20-22-19-10-5-4-9-18(19)21(24)23(20)11-12-25-3/h4-10,13,15,20,22H,11-12,14H2,1-3H3
InChIKeyQFVUPIQPONFCFP-UHFFFAOYSA-N
XLogP3.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54777988
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133
3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778813
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
2-(3,4-dihydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47019340
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
3-butan-2-yl-2-[3-(2-methoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54778992
3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778646
2-(3-butoxyphenyl)-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778071
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 54779195) is 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2NC1c1cccc(OCC(C)C)c1.
What is the InChIKey of 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is QFVUPIQPONFCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)14-26-17-8-6-7-16(13-17)20-22-19-10-5-4-9-18(19)21(24)23(20)11-12-25-3/h4-10,13,15,20,22H,11-12,14H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one?
3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[3-(2-methylpropoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).