6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

C27H38N6O2 — CID 118613633

IUPAC6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccn(C)n3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C27H38N6O2/c1-31-13-7-20(8-14-31)28-23-18-25(22-9-15-32(2)30-22)29-24-19-27(26(34-3)17-21(23)24)35-16-6-12-33-10-4-5-11-33/h9,15,17-20H,4-8,10-14,16H2,1-3H3,(H,28,29)
InChIKeyPZPUORZZMLOXMT-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.01
Rot. Bonds9

About 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine

6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (PubChem CID 118613633) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
PubChem CID118613633
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)cc(-c3ccn(C)n3)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C27H38N6O2/c1-31-13-7-20(8-14-31)28-23-18-25(22-9-15-32(2)30-22)29-24-19-27(26(34-3)17-21(23)24)35-16-6-12-33-10-4-5-11-33/h9,15,17-20H,4-8,10-14,16H2,1-3H3,(H,28,29)
InChIKeyPZPUORZZMLOXMT-UHFFFAOYSA-N
XLogP4.01
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Phenylamino-3-quinolinecarbonitrile 21
CID 5330090
4-Phenylamino-3-quinolinecarbonitrile 22
CID 5330091
LY2109761
CID 11655119
4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-7-(tetrahydro-furan-2-ylmethoxy)-quinoline
CID 21992511
Dihydropyrrolopyrazole, 14a
CID 21992630
Dihydropyrrolopyrazole, 16a
CID 21992654
Dihydropyrrolopyrazole, 15b
CID 21992730
Dihydropyrrolopyrazole, 15a
CID 21992811
Dihydropyrrolopyrazole, 15c
CID 21992812
Dihydropyrrolopyrazole, 15
CID 24776251
Dihydropyrrolopyrazole, 19
CID 24776252
Dihydropyrrolopyrazole, 23
CID 24776257

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine (CID 118613633) is 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is COc1cc2c(NC3CCN(C)CC3)cc(-c3ccn(C)n3)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
The InChIKey is PZPUORZZMLOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-31-13-7-20(8-14-31)28-23-18-25(22-9-15-32(2)30-22)29-24-19-27(26(34-3)17-21(23)24)35-16-6-12-33-10-4-5-11-33/h9,15,17-20H,4-8,10-14,16H2,1-3H3,(H,28,29).
What are the key properties of 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine?
6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine has a molecular weight of 478.64 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine is sourced from PubChem (CID 118613633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).