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

C26H30N4O6 — CID 55573970

IUPAC6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCCn3cnc4cc(OC)c(OC)cc4c3=O)CC2)cc1
InChIInChI=1S/C26H30N4O6/c1-34-19-8-6-18(7-9-19)25(32)29-13-11-28(12-14-29)24(31)5-4-10-30-17-27-21-16-23(36-3)22(35-2)15-20(21)26(30)33/h6-9,15-17H,4-5,10-14H2,1-3H3
InChIKeyUIKXZXXZMJEVOQ-UHFFFAOYSA-N
MW494.55 g/mol
LogP2.19
Rot. Bonds8

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

6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one (PubChem CID 55573970) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
PubChem CID55573970
Molecular FormulaC26H30N4O6
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCCn3cnc4cc(OC)c(OC)cc4c3=O)CC2)cc1
InChIInChI=1S/C26H30N4O6/c1-34-19-8-6-18(7-9-19)25(32)29-13-11-28(12-14-29)24(31)5-4-10-30-17-27-21-16-23(36-3)22(35-2)15-20(21)26(30)33/h6-9,15-17H,4-5,10-14H2,1-3H3
InChIKeyUIKXZXXZMJEVOQ-UHFFFAOYSA-N
XLogP2.19
TPSA103.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-oxobutyl]-6,7-dimethoxyquinazolin-4-one
CID 55587076
2-[4-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55455609
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]butanamide
CID 46477188
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
CID 39035249
6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 119491763
3-[4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-oxobutyl]-6,7-dimethoxyquinazolin-4-one
CID 55454448
6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 45495446
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)butanamide
CID 51276831
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 70721511
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 55455013

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one (CID 55573970) is 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one is COc1ccc(C(=O)N2CCN(C(=O)CCCn3cnc4cc(OC)c(OC)cc4c3=O)CC2)cc1.
What is the InChIKey of 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one?
The InChIKey is UIKXZXXZMJEVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c1-34-19-8-6-18(7-9-19)25(32)29-13-11-28(12-14-29)24(31)5-4-10-30-17-27-21-16-23(36-3)22(35-2)15-20(21)26(30)33/h6-9,15-17H,4-5,10-14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one?
6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one has a molecular weight of 494.55 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one is sourced from PubChem (CID 55573970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).