1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine

C23H22FN3O3 — CID 134323968

IUPAC1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine
SMILESCOc1c(OCC2(N)CC2)ccc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc12
InChIInChI=1S/C23H22FN3O3/c1-13-11-15-16(27-13)4-6-18(20(15)24)30-17-7-10-26-21-14(17)3-5-19(22(21)28-2)29-12-23(25)8-9-23/h3-7,10-11,27H,8-9,12,25H2,1-2H3
InChIKeyFPNAERMOWGQCBY-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.83
Rot. Bonds6

About 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine

1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine (PubChem CID 134323968) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine
PubChem CID134323968
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine
SMILESCOc1c(OCC2(N)CC2)ccc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc12
InChIInChI=1S/C23H22FN3O3/c1-13-11-15-16(27-13)4-6-18(20(15)24)30-17-7-10-26-21-14(17)3-5-19(22(21)28-2)29-12-23(25)8-9-23/h3-7,10-11,27H,8-9,12,25H2,1-2H3
InChIKeyFPNAERMOWGQCBY-UHFFFAOYSA-N
XLogP4.83
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine with MolForge

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Related Compounds

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinolin-7-ol
CID 137046070
7-ethoxy-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]quinoline
CID 146508389
1-[2-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxy]ethyl]cyclopropan-1-amine
CID 146271183
4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)butan-1-one
CID 85469418
ethane;4-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid
CID 143120826
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
CID 141061973
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxycinnolin-7-ol
CID 135749776
2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]acetamide
CID 132970429
5-(6-chloropyrimidin-4-yl)oxy-4-fluoro-2-methyl-1H-indole
CID 122521128
tert-butyl N-[1-[[9-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-1,2-dihydrofuro[3,2-f]quinolin-4-yl]oxymethyl]cyclopropyl]carbamate
CID 146271170
4-chloro-7-hydroxyquinoline-6-carbonitrile;4-chloro-7-(2-methoxyethoxy)quinoline-6-carbonitrile;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7-(2-methoxyethoxy)quinoline-6-carbonitrile
CID 160842101
2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 90431551

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine (CID 134323968) is 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine is COc1c(OCC2(N)CC2)ccc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc12.
What is the InChIKey of 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine?
The InChIKey is FPNAERMOWGQCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c1-13-11-15-16(27-13)4-6-18(20(15)24)30-17-7-10-26-21-14(17)3-5-19(22(21)28-2)29-12-23(25)8-9-23/h3-7,10-11,27H,8-9,12,25H2,1-2H3.
What are the key properties of 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine?
1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine has a molecular weight of 407.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-8-methoxyquinolin-7-yl]oxymethyl]cyclopropan-1-amine is sourced from PubChem (CID 134323968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).