5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide

C28H27N5O3 — CID 67202393

IUPAC5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide
SMILESN#Cc1cc2c(Oc3ccc4c(ccn4C(=O)NC4CC4)c3)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C28H27N5O3/c29-16-20-14-23-24(15-27(20)35-17-18-5-9-30-10-6-18)31-11-7-26(23)36-22-3-4-25-19(13-22)8-12-33(25)28(34)32-21-1-2-21/h3-4,7-8,11-15,18,21,30H,1-2,5-6,9-10,17H2,(H,32,34)
InChIKeyQAPAZWDXLUBQGK-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.95
Rot. Bonds6

About 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide

5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide (PubChem CID 67202393) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide.

Molecular Properties

Compound Name5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide
PubChem CID67202393
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide
SMILESN#Cc1cc2c(Oc3ccc4c(ccn4C(=O)NC4CC4)c3)ccnc2cc1OCC1CCNCC1
InChIInChI=1S/C28H27N5O3/c29-16-20-14-23-24(15-27(20)35-17-18-5-9-30-10-6-18)31-11-7-26(23)36-22-3-4-25-19(13-22)8-12-33(25)28(34)32-21-1-2-21/h3-4,7-8,11-15,18,21,30H,1-2,5-6,9-10,17H2,(H,32,34)
InChIKeyQAPAZWDXLUBQGK-UHFFFAOYSA-N
XLogP4.95
TPSA101.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide with MolForge

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Related Compounds

tert-butyl 4-[[4-[1-(cyclopropylcarbamoyl)indol-5-yl]oxy-6-isocyanoquinolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 58931123
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
5-[6-isocyano-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxy-N-(1,3-thiazol-2-yl)indole-1-carboxamide
CID 58930928
(1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate
CID 91611866
5-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-cyclopropylindole-1-carboxamide
CID 58930818
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
tert-butyl 4-[[6-cyano-4-[3-fluoro-4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 67203610
4-[2-amino-3-chloro-4-(cyclopropylcarbamoyl)phenoxy]-7-(piperidin-4-ylmethoxy)quinoline-6-carboxamide
CID 67305858
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(cyclopropylmethyl)urea
CID 10137662
1-[4-(6-cyano-7-hydroxyquinolin-4-yl)oxy-2-methylphenyl]-3-cyclopropylurea;1-[4-[6-cyano-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxy-2-methylphenyl]-3-cyclopropylurea
CID 159374911
1-[4-[6-cyano-7-[[(2R)-oxiran-2-yl]methoxy]quinolin-4-yl]oxy-2,3-dimethylphenyl]-3-cyclopropylurea
CID 86591483
N-ethyl-5-[6-(methyliminomethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyindole-1-carboxamide
CID 163712559

Frequently Asked Questions

What is the IUPAC name of 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide?
The IUPAC name of 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide (CID 67202393) is 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide.
What is the SMILES notation for 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide?
The canonical SMILES for 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide is N#Cc1cc2c(Oc3ccc4c(ccn4C(=O)NC4CC4)c3)ccnc2cc1OCC1CCNCC1.
What is the InChIKey of 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide?
The InChIKey is QAPAZWDXLUBQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c29-16-20-14-23-24(15-27(20)35-17-18-5-9-30-10-6-18)31-11-7-26(23)36-22-3-4-25-19(13-22)8-12-33(25)28(34)32-21-1-2-21/h3-4,7-8,11-15,18,21,30H,1-2,5-6,9-10,17H2,(H,32,34).
What are the key properties of 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide?
5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-cyano-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxy-N-cyclopropylindole-1-carboxamide is sourced from PubChem (CID 67202393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).