4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline

C20H25N7O — CID 126896308

IUPAC4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
SMILESCn1cnnc1CN1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1
InChIInChI=1S/C20H25N7O/c1-25-14-23-24-19(25)11-26-6-8-27(9-7-26)16-4-5-18-17(10-16)20(22-13-21-18)28-12-15-2-3-15/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3
InChIKeyMASMUOHIMYDYHL-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.87
Rot. Bonds6

About 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline

4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline (PubChem CID 126896308) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
PubChem CID126896308
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
SMILESCn1cnnc1CN1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1
InChIInChI=1S/C20H25N7O/c1-25-14-23-24-19(25)11-26-6-8-27(9-7-26)16-4-5-18-17(10-16)20(22-13-21-18)28-12-15-2-3-15/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3
InChIKeyMASMUOHIMYDYHL-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline with MolForge

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Related Compounds

4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896365
4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126896360
4-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 126896363
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 126896407
1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
CID 126896399
cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896284
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 126896267
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126896274
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
CID 126896397
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 126894959
3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126894808

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline (CID 126896308) is 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline is Cn1cnnc1CN1CCN(c2ccc3ncnc(OCC4CC4)c3c2)CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is MASMUOHIMYDYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-25-14-23-24-19(25)11-26-6-8-27(9-7-26)16-4-5-18-17(10-16)20(22-13-21-18)28-12-15-2-3-15/h4-5,10,13-15H,2-3,6-9,11-12H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline?
4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 379.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126896308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).