6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one

C16H22N4O3 — CID 137290427

IUPAC6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one
SMILESCCCOc1cc2nc(N3CCNCC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C16H22N4O3/c1-3-8-23-14-10-12-11(9-13(14)22-2)15(21)19-16(18-12)20-6-4-17-5-7-20/h9-10,17H,3-8H2,1-2H3,(H,18,19,21)
InChIKeyFZZHKUYGGSWHKF-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.13
Rot. Bonds5

About 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one

6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one (PubChem CID 137290427) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one
PubChem CID137290427
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one
SMILESCCCOc1cc2nc(N3CCNCC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C16H22N4O3/c1-3-8-23-14-10-12-11(9-13(14)22-2)15(21)19-16(18-12)20-6-4-17-5-7-20/h9-10,17H,3-8H2,1-2H3,(H,18,19,21)
InChIKeyFZZHKUYGGSWHKF-UHFFFAOYSA-N
XLogP1.13
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
6-ethoxy-2-ethyl-7-methoxy-3H-quinazolin-4-one
CID 137010023
2-(ethylamino)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136951517
4-[[1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]amino]benzoic acid
CID 135476250
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135715079
1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
CID 10992646
4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
CID 135923305
2,4-dichloro-6-methoxy-7-propoxyquinazoline
CID 21330888
4-benzyl-1-(6-methoxy-4-oxo-7-propan-2-yloxy-3H-quinazolin-2-yl)piperidine-4-carboxylic acid
CID 137106063
6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline
CID 11068254
2-bromo-6,7-dimethoxy-3H-quinazolin-4-one
CID 163409774
6,7-dimethoxy-2-piperazin-1-ylquinolin-4-amine;hydrochloride
CID 90673657

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one (CID 137290427) is 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one is CCCOc1cc2nc(N3CCNCC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one?
The InChIKey is FZZHKUYGGSWHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-8-23-14-10-12-11(9-13(14)22-2)15(21)19-16(18-12)20-6-4-17-5-7-20/h9-10,17H,3-8H2,1-2H3,(H,18,19,21).
What are the key properties of 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one?
6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one has a molecular weight of 318.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-piperazin-1-yl-7-propoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137290427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).