8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine

C19H21N5O — CID 91650180

IUPAC8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine
SMILESCOc1cccc2c(NC3CCN(c4ncccn4)CC3)ccnc12
InChIInChI=1S/C19H21N5O/c1-25-17-5-2-4-15-16(6-11-20-18(15)17)23-14-7-12-24(13-8-14)19-21-9-3-10-22-19/h2-6,9-11,14H,7-8,12-13H2,1H3,(H,20,23)
InChIKeyFQZCZSIEKUHBAK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.11
Rot. Bonds4

About 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine

8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine (PubChem CID 91650180) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine
PubChem CID91650180
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine
SMILESCOc1cccc2c(NC3CCN(c4ncccn4)CC3)ccnc12
InChIInChI=1S/C19H21N5O/c1-25-17-5-2-4-15-16(6-11-20-18(15)17)23-14-7-12-24(13-8-14)19-21-9-3-10-22-19/h2-6,9-11,14H,7-8,12-13H2,1H3,(H,20,23)
InChIKeyFQZCZSIEKUHBAK-UHFFFAOYSA-N
XLogP3.11
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine
CID 119037718
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
4-(cyclohexylamino)quinolin-8-ol
CID 22417942
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
4-N-(1-methylpyrrolidin-3-yl)quinoline-4,8-diamine
CID 83061261
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 47054044
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
8-methyl-N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65070427
8-methoxy-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]quinazolin-4-amine
CID 166259030

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine?
The IUPAC name of 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine (CID 91650180) is 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine.
What is the SMILES notation for 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine?
The canonical SMILES for 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine is COc1cccc2c(NC3CCN(c4ncccn4)CC3)ccnc12.
What is the InChIKey of 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine?
The InChIKey is FQZCZSIEKUHBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-25-17-5-2-4-15-16(6-11-20-18(15)17)23-14-7-12-24(13-8-14)19-21-9-3-10-22-19/h2-6,9-11,14H,7-8,12-13H2,1H3,(H,20,23).
What are the key properties of 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine?
8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)quinolin-4-amine is sourced from PubChem (CID 91650180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).