6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one

C20H28N4O4 — CID 119491763

IUPAC6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one
SMILESCNC1CCCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)C1
InChIInChI=1S/C20H28N4O4/c1-21-14-6-4-8-23(12-14)19(25)7-5-9-24-13-22-16-11-18(28-3)17(27-2)10-15(16)20(24)26/h10-11,13-14,21H,4-9,12H2,1-3H3
InChIKeyPYXDPLGWCSUFPP-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.40
Rot. Bonds7

About 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one

6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one (PubChem CID 119491763) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one
PubChem CID119491763
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one
SMILESCNC1CCCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)C1
InChIInChI=1S/C20H28N4O4/c1-21-14-6-4-8-23(12-14)19(25)7-5-9-24-13-22-16-11-18(28-3)17(27-2)10-15(16)20(24)26/h10-11,13-14,21H,4-9,12H2,1-3H3
InChIKeyPYXDPLGWCSUFPP-UHFFFAOYSA-N
XLogP1.40
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 55573970
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-piperidin-3-ylbutanamide
CID 119427582
3-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-oxobutyl]-6,7-dimethoxyquinazolin-4-one
CID 55587076
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55471462
3-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]-6,7-dimethoxyquinazolin-4-one
CID 55454448
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 55658444
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
6,7-dimethoxy-3-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]quinazolin-4-one
CID 51720774
6,7-dimethoxy-3-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]quinazolin-4-one
CID 45494783
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
2-[4-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55455609

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one (CID 119491763) is 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one is CNC1CCCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)C1.
What is the InChIKey of 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one?
The InChIKey is PYXDPLGWCSUFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-21-14-6-4-8-23(12-14)19(25)7-5-9-24-13-22-16-11-18(28-3)17(27-2)10-15(16)20(24)26/h10-11,13-14,21H,4-9,12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one?
6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one has a molecular weight of 388.47 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one is sourced from PubChem (CID 119491763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).