methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline

C20H34N6 — CID 161469747

IUPACmethane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
SMILESC.C.C.C.CN1CCN(c2ncnc3ccc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C16H18N6.4CH4/c1-21-4-6-22(7-5-21)16-14-8-12(13-9-19-20-10-13)2-3-15(14)17-11-18-16;;;;/h2-3,8-11H,4-7H2,1H3,(H,19,20);4*1H4
InChIKeyWCXNMRWYRXHBTF-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.32
Rot. Bonds2

About methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline

methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline (PubChem CID 161469747) has the molecular formula C20H34N6 and a molecular weight of 358.53 g/mol. Its IUPAC name is methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline.

Molecular Properties

Compound Namemethane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
PubChem CID161469747
Molecular FormulaC20H34N6
Molecular Weight358.53 g/mol
Exact Mass358.28
IUPAC Namemethane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
SMILESC.C.C.C.CN1CCN(c2ncnc3ccc(-c4cn[nH]c4)cc23)CC1
InChIInChI=1S/C16H18N6.4CH4/c1-21-4-6-22(7-5-21)16-14-8-12(13-9-19-20-10-13)2-3-15(14)17-11-18-16;;;;/h2-3,8-11H,4-7H2,1H3,(H,19,20);4*1H4
InChIKeyWCXNMRWYRXHBTF-UHFFFAOYSA-N
XLogP4.32
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 22032423
4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 22031719
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane
CID 159342726
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031982
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
CID 22032346
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031947
3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzamide
CID 173113564
4-[4-(3-propan-2-ylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031492
4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;hydrochloride
CID 22032454
4-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]benzoic acid
CID 39820555
6-(1H-pyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)quinazoline;tris(2,2,2-trifluoroacetic acid)
CID 22031467
N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
CID 22032058

Frequently Asked Questions

What is the IUPAC name of methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline?
The IUPAC name of methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline (CID 161469747) is methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline.
What is the SMILES notation for methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline?
The canonical SMILES for methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline is C.C.C.C.CN1CCN(c2ncnc3ccc(-c4cn[nH]c4)cc23)CC1.
What is the InChIKey of methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline?
The InChIKey is WCXNMRWYRXHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6.4CH4/c1-21-4-6-22(7-5-21)16-14-8-12(13-9-19-20-10-13)2-3-15(14)17-11-18-16;;;;/h2-3,8-11H,4-7H2,1H3,(H,19,20);4*1H4.
What are the key properties of methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline?
methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline has a molecular weight of 358.53 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline is sourced from PubChem (CID 161469747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).