4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline

C20H25N7O — CID 126896360

IUPAC4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
SMILESCn1cc(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)nn1
InChIInChI=1S/C20H25N7O/c1-25-11-16(23-24-25)12-26-6-8-27(9-7-26)17-4-5-19-18(10-17)20(22-14-21-19)28-13-15-2-3-15/h4-5,10-11,14-15H,2-3,6-9,12-13H2,1H3
InChIKeyOYIKTICBVKTLNJ-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.87
Rot. Bonds6

About 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline

4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline (PubChem CID 126896360) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
PubChem CID126896360
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
SMILESCn1cc(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)nn1
InChIInChI=1S/C20H25N7O/c1-25-11-16(23-24-25)12-26-6-8-27(9-7-26)17-4-5-19-18(10-17)20(22-14-21-19)28-13-15-2-3-15/h4-5,10-11,14-15H,2-3,6-9,12-13H2,1H3
InChIKeyOYIKTICBVKTLNJ-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-[(1-methyltriazol-4-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-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 126896363
4-(cyclopropylmethoxy)-6-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinazoline
CID 126896308
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126896354
1-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]cyclobutan-1-ol
CID 126896399
6-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 126896407
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-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
[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
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline (CID 126896360) is 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline is Cn1cc(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)nn1.
What is the InChIKey of 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is OYIKTICBVKTLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-25-11-16(23-24-25)12-26-6-8-27(9-7-26)17-4-5-19-18(10-17)20(22-14-21-19)28-13-15-2-3-15/h4-5,10-11,14-15H,2-3,6-9,12-13H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline?
4-(cyclopropylmethoxy)-6-[4-[(1-methyltriazol-4-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-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126896360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).