7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C22H33N5O2 — CID 126897524

IUPAC7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(CCN4CCCOCC4)CC3)ccc2c1=O
InChIInChI=1S/C22H33N5O2/c1-18(2)27-17-23-21-16-19(4-5-20(21)22(27)28)26-11-9-25(10-12-26)8-7-24-6-3-14-29-15-13-24/h4-5,16-18H,3,6-15H2,1-2H3
InChIKeyFNVXQGFTKNNCFT-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.82
Rot. Bonds5

About 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897524) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897524
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(CCN4CCCOCC4)CC3)ccc2c1=O
InChIInChI=1S/C22H33N5O2/c1-18(2)27-17-23-21-16-19(4-5-20(21)22(27)28)26-11-9-25(10-12-26)8-7-24-6-3-14-29-15-13-24/h4-5,16-18H,3,6-15H2,1-2H3
InChIKeyFNVXQGFTKNNCFT-UHFFFAOYSA-N
XLogP1.82
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one with MolForge

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Related Compounds

7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897605
7-[4-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897479
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897419
7-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897363
3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897487
3-propan-2-yl-7-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897505
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
7-[4-[(4-methyl-5-oxopyrazin-2-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897425
7-[4-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897418

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897524) is 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is CC(C)n1cnc2cc(N3CCN(CCN4CCCOCC4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is FNVXQGFTKNNCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-18(2)27-17-23-21-16-19(4-5-20(21)22(27)28)26-11-9-25(10-12-26)8-7-24-6-3-14-29-15-13-24/h4-5,16-18H,3,6-15H2,1-2H3.
What are the key properties of 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 399.54 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).