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

C26H25N3O4 — CID 155077042

IUPAC6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc4cc(NC5(CO)CC5)c(OC)cc34)ccc12
InChIInChI=1S/C26H25N3O4/c1-27-25(31)19-5-3-4-16-12-17(6-7-18(16)19)33-23-8-11-28-21-14-22(24(32-2)13-20(21)23)29-26(15-30)9-10-26/h3-8,11-14,29-30H,9-10,15H2,1-2H3,(H,27,31)
InChIKeyCJUREOCCHVYMJK-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.49
Rot. Bonds7

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

6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide (PubChem CID 155077042) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
PubChem CID155077042
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc4cc(NC5(CO)CC5)c(OC)cc34)ccc12
InChIInChI=1S/C26H25N3O4/c1-27-25(31)19-5-3-4-16-12-17(6-7-18(16)19)33-23-8-11-28-21-14-22(24(32-2)13-20(21)23)29-26(15-30)9-10-26/h3-8,11-14,29-30H,9-10,15H2,1-2H3,(H,27,31)
InChIKeyCJUREOCCHVYMJK-UHFFFAOYSA-N
XLogP4.49
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 25031916
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
benzyl N-[1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]carbamate
CID 24905361
4-[5-(cyclopropylcarbamoyl)naphthalen-2-yl]oxy-7-methoxy-N-methylquinoline-6-carboxamide
CID 11316645
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-(6,7-dimethoxyquinolin-4-yl)oxy-N-propan-2-ylnaphthalene-1-carboxamide
CID 24822600
6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11474276
2-cyclopropyl-1-[6-[7-[[1-(dimethylamino)cyclopropyl]methoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-1-yl]ethanone
CID 157248452
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[[(2S)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 59813247
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-ethylpyrazol-3-yl)naphthalene-1-carboxamide
CID 59813478
N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813889
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 59813683

Frequently Asked Questions

What is the IUPAC name of 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide (CID 155077042) is 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc4cc(NC5(CO)CC5)c(OC)cc34)ccc12.
What is the InChIKey of 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The InChIKey is CJUREOCCHVYMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-27-25(31)19-5-3-4-16-12-17(6-7-18(16)19)33-23-8-11-28-21-14-22(24(32-2)13-20(21)23)29-26(15-30)9-10-26/h3-8,11-14,29-30H,9-10,15H2,1-2H3,(H,27,31).
What are the key properties of 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[[1-(hydroxymethyl)cyclopropyl]amino]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 155077042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).