3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one

C23H23N5O3 — CID 139800922

IUPAC3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one
SMILESCOc1ccc2c(N3CCC(n4cnc5ccccc5c4=O)CC3)ncnc2c1OC
InChIInChI=1S/C23H23N5O3/c1-30-19-8-7-17-20(21(19)31-2)24-13-25-22(17)27-11-9-15(10-12-27)28-14-26-18-6-4-3-5-16(18)23(28)29/h3-8,13-15H,9-12H2,1-2H3
InChIKeyGKXODKWXXFVUMB-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.20
Rot. Bonds4

About 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one

3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one (PubChem CID 139800922) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one
PubChem CID139800922
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one
SMILESCOc1ccc2c(N3CCC(n4cnc5ccccc5c4=O)CC3)ncnc2c1OC
InChIInChI=1S/C23H23N5O3/c1-30-19-8-7-17-20(21(19)31-2)24-13-25-22(17)27-11-9-15(10-12-27)28-14-26-18-6-4-3-5-16(18)23(28)29/h3-8,13-15H,9-12H2,1-2H3
InChIKeyGKXODKWXXFVUMB-UHFFFAOYSA-N
XLogP3.20
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one
CID 146142774
3-cyclobutylquinazolin-4-one
CID 171781936
6,7,8-trimethoxy-3-(1-pyridazin-3-ylpiperidin-4-yl)quinazolin-4-one
CID 171915843
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113784
3-(1-benzylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53010931
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 14668436
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride
CID 19605811
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113768
3-[1-[2-(2-ethyl-N-pyridin-2-ylanilino)ethyl]piperidin-4-yl]quinazolin-4-one
CID 59956249

Frequently Asked Questions

What is the IUPAC name of 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one (CID 139800922) is 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one is COc1ccc2c(N3CCC(n4cnc5ccccc5c4=O)CC3)ncnc2c1OC.
What is the InChIKey of 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one?
The InChIKey is GKXODKWXXFVUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-30-19-8-7-17-20(21(19)31-2)24-13-25-22(17)27-11-9-15(10-12-27)28-14-26-18-6-4-3-5-16(18)23(28)29/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one?
3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one has a molecular weight of 417.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 139800922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).