2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone

C31H32N2O4 — CID 157248452

IUPAC2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
SMILESCOc1cc2c(Oc3ccc4c(C(=O)CC5CC5)cccc4c3)ccnc2cc1OCC1(N(C)C)CC1
InChIInChI=1S/C31H32N2O4/c1-33(2)31(12-13-31)19-36-30-18-26-25(17-29(30)35-3)28(11-14-32-26)37-22-9-10-23-21(16-22)5-4-6-24(23)27(34)15-20-7-8-20/h4-6,9-11,14,16-18,20H,7-8,12-13,15,19H2,1-3H3
InChIKeyVDOLGGPOVXMMHY-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.64
Rot. Bonds10

About 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone

2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone (PubChem CID 157248452) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
PubChem CID157248452
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
SMILESCOc1cc2c(Oc3ccc4c(C(=O)CC5CC5)cccc4c3)ccnc2cc1OCC1(N(C)C)CC1
InChIInChI=1S/C31H32N2O4/c1-33(2)31(12-13-31)19-36-30-18-26-25(17-29(30)35-3)28(11-14-32-26)37-22-9-10-23-21(16-22)5-4-6-24(23)27(34)15-20-7-8-20/h4-6,9-11,14,16-18,20H,7-8,12-13,15,19H2,1-3H3
InChIKeyVDOLGGPOVXMMHY-UHFFFAOYSA-N
XLogP6.64
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone with MolForge

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Related Compounds

6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine
CID 141206388
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
CID 24905361
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 59813247
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 46175442
6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 155077042
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
7-methoxy-4-[5-(4-methoxybutanoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 160978849

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone (CID 157248452) is 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone is COc1cc2c(Oc3ccc4c(C(=O)CC5CC5)cccc4c3)ccnc2cc1OCC1(N(C)C)CC1.
What is the InChIKey of 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone?
The InChIKey is VDOLGGPOVXMMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4/c1-33(2)31(12-13-31)19-36-30-18-26-25(17-29(30)35-3)28(11-14-32-26)37-22-9-10-23-21(16-22)5-4-6-24(23)27(34)15-20-7-8-20/h4-6,9-11,14,16-18,20H,7-8,12-13,15,19H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone?
2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone has a molecular weight of 496.61 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone is sourced from PubChem (CID 157248452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).