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

C21H26N6O — CID 126896365

IUPAC4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
SMILESCn1cnc(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)c1
InChIInChI=1S/C21H26N6O/c1-25-11-17(24-15-25)12-26-6-8-27(9-7-26)18-4-5-20-19(10-18)21(23-14-22-20)28-13-16-2-3-16/h4-5,10-11,14-16H,2-3,6-9,12-13H2,1H3
InChIKeyYXQLUQMWVFVSAO-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.47
Rot. Bonds6

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

4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline (PubChem CID 126896365) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
PubChem CID126896365
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline
SMILESCn1cnc(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)c1
InChIInChI=1S/C21H26N6O/c1-25-11-17(24-15-25)12-26-6-8-27(9-7-26)18-4-5-20-19(10-18)21(23-14-22-20)28-13-16-2-3-16/h4-5,10-11,14-16H,2-3,6-9,12-13H2,1H3
InChIKeyYXQLUQMWVFVSAO-UHFFFAOYSA-N
XLogP2.47
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline with MolForge

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Related Compounds

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
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
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
[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 126896267
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514
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
cyclopent-3-en-1-yl-[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methanone
CID 126896284

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline (CID 126896365) is 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline is Cn1cnc(CN2CCN(c3ccc4ncnc(OCC5CC5)c4c3)CC2)c1.
What is the InChIKey of 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is YXQLUQMWVFVSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25-11-17(24-15-25)12-26-6-8-27(9-7-26)18-4-5-20-19(10-18)21(23-14-22-20)28-13-16-2-3-16/h4-5,10-11,14-16H,2-3,6-9,12-13H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline?
4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 378.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-6-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 126896365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).