8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine

C21H25N5O — CID 166259030

IUPAC8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine
SMILESCOc1cccc2c(NC3CCN(C(C)c4ccncc4)CC3)ncnc12
InChIInChI=1S/C21H25N5O/c1-15(16-6-10-22-11-7-16)26-12-8-17(9-13-26)25-21-18-4-3-5-19(27-2)20(18)23-14-24-21/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,23,24,25)
InChIKeyURSIVGGPOAFJJR-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.67
Rot. Bonds5

About 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine

8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine (PubChem CID 166259030) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine
PubChem CID166259030
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine
SMILESCOc1cccc2c(NC3CCN(C(C)c4ccncc4)CC3)ncnc12
InChIInChI=1S/C21H25N5O/c1-15(16-6-10-22-11-7-16)26-12-8-17(9-13-26)25-21-18-4-3-5-19(27-2)20(18)23-14-24-21/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,23,24,25)
InChIKeyURSIVGGPOAFJJR-UHFFFAOYSA-N
XLogP3.67
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine with MolForge

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Related Compounds

6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 154735994
N-[1-(1-phenylethyl)piperidin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 167893642
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
N-[4-(2-diethoxyphosphorylethyl)cyclohexyl]-8-methoxyquinazolin-4-amine
CID 166527052
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine
CID 91650180
N-propyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860638
N-[(1S,3R)-3-(2-diethoxyphosphorylethyl)cyclopentyl]-8-methoxyquinazolin-4-amine
CID 166527036
6,7-dimethoxy-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CID 175487045
2-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]pyridin-3-amine
CID 91647015

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine?
The IUPAC name of 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine (CID 166259030) is 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine?
The canonical SMILES for 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine is COc1cccc2c(NC3CCN(C(C)c4ccncc4)CC3)ncnc12.
What is the InChIKey of 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine?
The InChIKey is URSIVGGPOAFJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15(16-6-10-22-11-7-16)26-12-8-17(9-13-26)25-21-18-4-3-5-19(27-2)20(18)23-14-24-21/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine?
8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine is sourced from PubChem (CID 166259030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).