3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one

C22H27N3O2 — CID 11703337

IUPAC3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one
SMILESCCN(CC)CCCOc1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C22H27N3O2/c1-4-24(5-2)15-8-16-27-19-13-11-18(12-14-19)25-17(3)23-21-10-7-6-9-20(21)22(25)26/h6-7,9-14H,4-5,8,15-16H2,1-3H3
InChIKeyUVIHFHMSMYXWGT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.80
Rot. Bonds8

About 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one

3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one (PubChem CID 11703337) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one
PubChem CID11703337
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one
SMILESCCN(CC)CCCOc1ccc(-n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C22H27N3O2/c1-4-24(5-2)15-8-16-27-19-13-11-18(12-14-19)25-17(3)23-21-10-7-6-9-20(21)22(25)26/h6-7,9-14H,4-5,8,15-16H2,1-3H3
InChIKeyUVIHFHMSMYXWGT-UHFFFAOYSA-N
XLogP3.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Mk-0249
CID 11697697
MK-3134
CID 11973780
Dictyoquinazol A
CID 637050
3-(2-Ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 11559627
1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)-
CID 217632
6-Methoxy-2-phenyl-3,4-dihydroquinazolin-4-one
CID 135539400
2-[2-[3-(4-Methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
Yil781
CID 23631116
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
[4-[(E)-(9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-3-ylidene)methyl]phenyl] acetate
CID 11809733
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one (CID 11703337) is 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one is CCN(CC)CCCOc1ccc(-n2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one?
The InChIKey is UVIHFHMSMYXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-24(5-2)15-8-16-27-19-13-11-18(12-14-19)25-17(3)23-21-10-7-6-9-20(21)22(25)26/h6-7,9-14H,4-5,8,15-16H2,1-3H3.
What are the key properties of 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one?
3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one has a molecular weight of 365.48 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(diethylamino)propoxy]phenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 11703337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).