6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide

C28H29N3O4 — CID 25031916

IUPAC6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N(C)C)CC5)c(OC)cc34)ccc12
InChIInChI=1S/C28H29N3O4/c1-29-27(32)21-7-5-6-18-14-19(8-9-20(18)21)35-24-10-13-30-23-16-26(25(33-4)15-22(23)24)34-17-28(11-12-28)31(2)3/h5-10,13-16H,11-12,17H2,1-4H3,(H,29,32)
InChIKeyOKCAQSBIEULQOE-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.02
Rot. Bonds8

About 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide

6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide (PubChem CID 25031916) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
PubChem CID25031916
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N(C)C)CC5)c(OC)cc34)ccc12
InChIInChI=1S/C28H29N3O4/c1-29-27(32)21-7-5-6-18-14-19(8-9-20(18)21)35-24-10-13-30-23-16-26(25(33-4)15-22(23)24)34-17-28(11-12-28)31(2)3/h5-10,13-16H,11-12,17H2,1-4H3,(H,29,32)
InChIKeyOKCAQSBIEULQOE-UHFFFAOYSA-N
XLogP5.02
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
CID 157248452
benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
CID 24905361
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
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
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-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]amino]-N-methylnaphthalene-1-carboxamide
CID 25031636
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 59813247

Frequently Asked Questions

What is the IUPAC name of 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide (CID 25031916) is 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N(C)C)CC5)c(OC)cc34)ccc12.
What is the InChIKey of 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The InChIKey is OKCAQSBIEULQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-29-27(32)21-7-5-6-18-14-19(8-9-20(18)21)35-24-10-13-30-23-16-26(25(33-4)15-22(23)24)34-17-28(11-12-28)31(2)3/h5-10,13-16H,11-12,17H2,1-4H3,(H,29,32).
What are the key properties of 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 25031916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).