3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one

C21H26N2O3 — CID 54778728

IUPAC3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCOc1ccc(C2Nc3ccccc3C(=O)N2CCCOC)cc1
InChIInChI=1S/C21H26N2O3/c1-3-14-26-17-11-9-16(10-12-17)20-22-19-8-5-4-7-18(19)21(24)23(20)13-6-15-25-2/h4-5,7-12,20,22H,3,6,13-15H2,1-2H3
InChIKeyHSWYQCHTOOUAMQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.08
Rot. Bonds8

About 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one

3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778728) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778728
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCOc1ccc(C2Nc3ccccc3C(=O)N2CCCOC)cc1
InChIInChI=1S/C21H26N2O3/c1-3-14-26-17-11-9-16(10-12-17)20-22-19-8-5-4-7-18(19)21(24)23(20)13-6-15-25-2/h4-5,7-12,20,22H,3,6,13-15H2,1-2H3
InChIKeyHSWYQCHTOOUAMQ-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hexoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778806
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-butyl-2-(4-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54780065
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778625
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133
3-(3-methoxypropyl)-2-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778646
3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778813
3-(3-methoxypropyl)-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778649
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54778728) is 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one is CCCOc1ccc(C2Nc3ccccc3C(=O)N2CCCOC)cc1.
What is the InChIKey of 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is HSWYQCHTOOUAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-14-26-17-11-9-16(10-12-17)20-22-19-8-5-4-7-18(19)21(24)23(20)13-6-15-25-2/h4-5,7-12,20,22H,3,6,13-15H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).