3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one

C19H27N3O4 — CID 78859070

IUPAC3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCCCCn1c(CN2CCOCC2)nc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C19H27N3O4/c1-4-5-6-22-18(13-21-7-9-26-10-8-21)20-15-12-17(25-3)16(24-2)11-14(15)19(22)23/h11-12H,4-10,13H2,1-3H3
InChIKeyOPDWQWVQIQUERL-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.05
Rot. Bonds7

About 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one

3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one (PubChem CID 78859070) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
PubChem CID78859070
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCCCCn1c(CN2CCOCC2)nc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C19H27N3O4/c1-4-5-6-22-18(13-21-7-9-26-10-8-21)20-15-12-17(25-3)16(24-2)11-14(15)19(22)23/h11-12H,4-10,13H2,1-3H3
InChIKeyOPDWQWVQIQUERL-UHFFFAOYSA-N
XLogP2.05
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide
CID 30213897
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
CID 2393852
3-butyl-2-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-one
CID 45029222
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-octylpurine-2,6-dione
CID 4310898
7-butoxy-3-ethyl-6-methoxy-2-methylquinazolin-4-one
CID 134112398
4-[[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]methyl]morpholine
CID 50744797
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
CID 22082862
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
2,3-dimethoxy-6-(morpholin-4-ylmethyl)quinazolin-4-one
CID 66769782
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate
CID 19032367
3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-6-nitroquinazolin-4-one
CID 24762047

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one (CID 78859070) is 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one is CCCCn1c(CN2CCOCC2)nc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The InChIKey is OPDWQWVQIQUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-4-5-6-22-18(13-21-7-9-26-10-8-21)20-15-12-17(25-3)16(24-2)11-14(15)19(22)23/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one?
3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one has a molecular weight of 361.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 78859070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).