6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline

C18H21N5 — CID 133300671

IUPAC6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
SMILESCc1ccc2ncnc(N3CCC(c4cnn(C)c4)CC3)c2c1
InChIInChI=1S/C18H21N5/c1-13-3-4-17-16(9-13)18(20-12-19-17)23-7-5-14(6-8-23)15-10-21-22(2)11-15/h3-4,9-12,14H,5-8H2,1-2H3
InChIKeyZYNMFGRMRZKTPD-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.06
Rot. Bonds2

About 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline

6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline (PubChem CID 133300671) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
PubChem CID133300671
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
SMILESCc1ccc2ncnc(N3CCC(c4cnn(C)c4)CC3)c2c1
InChIInChI=1S/C18H21N5/c1-13-3-4-17-16(9-13)18(20-12-19-17)23-7-5-14(6-8-23)15-10-21-22(2)11-15/h3-4,9-12,14H,5-8H2,1-2H3
InChIKeyZYNMFGRMRZKTPD-UHFFFAOYSA-N
XLogP3.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 86773022
4-(4-cyclohexyloxypiperidin-1-yl)-6-methylquinazoline
CID 133278333
1-(1-methylpyrazol-4-yl)-4-(6-methylquinazolin-4-yl)piperazin-2-one
CID 133336905
4-chloro-N-methyl-6-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]pyrimidin-5-amine
CID 133464294
trans-(1S,2S)-2-[4-(6-methylquinazolin-4-yl)piperazin-1-yl]cyclohexan-1-ol
CID 56853258
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650857
6-methyl-3-[1-(6-methylquinazolin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 139785898
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
CID 112843750
4-(4-phenylpiperidin-1-yl)quinazoline-6-carbaldehyde
CID 142671331

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline?
The IUPAC name of 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline (CID 133300671) is 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline?
The canonical SMILES for 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline is Cc1ccc2ncnc(N3CCC(c4cnn(C)c4)CC3)c2c1.
What is the InChIKey of 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline?
The InChIKey is ZYNMFGRMRZKTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-3-4-17-16(9-13)18(20-12-19-17)23-7-5-14(6-8-23)15-10-21-22(2)11-15/h3-4,9-12,14H,5-8H2,1-2H3.
What are the key properties of 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline?
6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline has a molecular weight of 307.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 133300671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).