1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen

C28H35N3O2 — CID 177173257

IUPAC1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen
SMILESCNC1(COc2ccc(-c3cc(N4CCC5(CCC5)C4)c4ccc(OC)cc4n3)cc2)CC1.[H][H]
InChIInChI=1S/C28H33N3O2.H2/c1-29-28(12-13-28)19-33-21-6-4-20(5-7-21)24-17-26(31-15-14-27(18-31)10-3-11-27)23-9-8-22(32-2)16-25(23)30-24;/h4-9,16-17,29H,3,10-15,18-19H2,1-2H3;1H
InChIKeyLWJFCELDCAVIJH-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.67
Rot. Bonds7

About 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen

1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen (PubChem CID 177173257) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen
PubChem CID177173257
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen
SMILESCNC1(COc2ccc(-c3cc(N4CCC5(CCC5)C4)c4ccc(OC)cc4n3)cc2)CC1.[H][H]
InChIInChI=1S/C28H33N3O2.H2/c1-29-28(12-13-28)19-33-21-6-4-20(5-7-21)24-17-26(31-15-14-27(18-31)10-3-11-27)23-9-8-22(32-2)16-25(23)30-24;/h4-9,16-17,29H,3,10-15,18-19H2,1-2H3;1H
InChIKeyLWJFCELDCAVIJH-UHFFFAOYSA-N
XLogP5.67
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen with MolForge

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Related Compounds

2-[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl]ethanamine
CID 177173642
[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 177173899
(3S)-N-ethyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177173980
N-cyclopropyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177174261
2-[4-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.4]octan-7-yl)-6-fluoro-7-methoxyquinolin-2-yl]phenoxy]-N,N-dimethylethanamine
CID 177173101
2-[4-[4-(1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-e]thiazin-6-yl)-7-methoxyquinolin-2-yl]phenoxy]-N-methylethanamine
CID 177173813
2-[7-methoxy-2-[4-[3-(methylamino)propoxy]phenyl]quinolin-4-yl]-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 177173741
7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
CID 121237208
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 177173211
N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine
CID 177173317
1-[[5-(4-methoxyphenyl)-3-pyridinyl]oxymethyl]-N-methylcyclopropan-1-amine;dihydrochloride
CID 68528703

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen?
The IUPAC name of 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen (CID 177173257) is 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen.
What is the SMILES notation for 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen?
The canonical SMILES for 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen is CNC1(COc2ccc(-c3cc(N4CCC5(CCC5)C4)c4ccc(OC)cc4n3)cc2)CC1.[H][H].
What is the InChIKey of 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen?
The InChIKey is LWJFCELDCAVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2.H2/c1-29-28(12-13-28)19-33-21-6-4-20(5-7-21)24-17-26(31-15-14-27(18-31)10-3-11-27)23-9-8-22(32-2)16-25(23)30-24;/h4-9,16-17,29H,3,10-15,18-19H2,1-2H3;1H.
What are the key properties of 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen?
1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen has a molecular weight of 445.61 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(6-azaspiro[3.4]octan-6-yl)-7-methoxyquinolin-2-yl]phenoxy]methyl]-N-methylcyclopropan-1-amine;molecular hydrogen is sourced from PubChem (CID 177173257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).