4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline

C20H25N7O — CID 126895391

IUPAC4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
SMILESc1nc(OC2CCC2)c2cc(N3CCN(CCn4cncn4)CC3)ccc2n1
InChIInChI=1S/C20H25N7O/c1-2-17(3-1)28-20-18-12-16(4-5-19(18)22-14-23-20)26-9-6-25(7-10-26)8-11-27-15-21-13-24-27/h4-5,12-15,17H,1-3,6-11H2
InChIKeyYJZHWLFDKRTBBS-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.97
Rot. Bonds6

About 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline

4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline (PubChem CID 126895391) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
PubChem CID126895391
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
SMILESc1nc(OC2CCC2)c2cc(N3CCN(CCn4cncn4)CC3)ccc2n1
InChIInChI=1S/C20H25N7O/c1-2-17(3-1)28-20-18-12-16(4-5-19(18)22-14-23-20)26-9-6-25(7-10-26)8-11-27-15-21-13-24-27/h4-5,12-15,17H,1-3,6-11H2
InChIKeyYJZHWLFDKRTBBS-UHFFFAOYSA-N
XLogP1.97
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
5-[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 126895445
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
4-[2-[4-[4-(oxolan-3-yloxy)quinazolin-6-yl]piperazin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126896735
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 51108536
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline (CID 126895391) is 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline is c1nc(OC2CCC2)c2cc(N3CCN(CCn4cncn4)CC3)ccc2n1.
What is the InChIKey of 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline?
The InChIKey is YJZHWLFDKRTBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-2-17(3-1)28-20-18-12-16(4-5-19(18)22-14-23-20)26-9-6-25(7-10-26)8-11-27-15-21-13-24-27/h4-5,12-15,17H,1-3,6-11H2.
What are the key properties of 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline?
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline has a molecular weight of 379.47 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126895391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).