2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide

C29H26N4O4 — CID 87832914

IUPAC2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ccccc4c3C(=O)Nc3ccc(N(C)C)nc3)c2cc1OC
InChIInChI=1S/C29H26N4O4/c1-33(2)27-12-10-19(17-31-27)32-29(34)28-20-8-6-5-7-18(20)9-11-24(28)37-23-13-14-30-22-16-26(36-4)25(35-3)15-21(22)23/h5-17H,1-4H3,(H,32,34)
InChIKeyWJSNAVFYDMRPNV-UHFFFAOYSA-N
MW494.55 g/mol
LogP5.91
Rot. Bonds7

About 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide

2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide (PubChem CID 87832914) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide
PubChem CID87832914
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4ccccc4c3C(=O)Nc3ccc(N(C)C)nc3)c2cc1OC
InChIInChI=1S/C29H26N4O4/c1-33(2)27-12-10-19(17-31-27)32-29(34)28-20-8-6-5-7-18(20)9-11-24(28)37-23-13-14-30-22-16-26(36-4)25(35-3)15-21(22)23/h5-17H,1-4H3,(H,32,34)
InChIKeyWJSNAVFYDMRPNV-UHFFFAOYSA-N
XLogP5.91
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-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

1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea
CID 67202836
N-[6-[7-[2-(dimethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxynaphthalen-2-yl]benzamide;ethane;molecular hydrogen
CID 143083731
benzyl-[2-[[6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]amino]-2-oxoethyl]carbamic acid
CID 69271238
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide
CID 178037610
N-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 87829722
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
2-amino-4-[4-(4-benzamido-2-methoxyphenoxy)-6-methoxyquinolin-7-yl]oxybutanoic acid
CID 67265062
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalen-2-yl]-4-methoxythiophene-3-carboxamide
CID 11306678
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide?
The IUPAC name of 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide (CID 87832914) is 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4ccccc4c3C(=O)Nc3ccc(N(C)C)nc3)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide?
The InChIKey is WJSNAVFYDMRPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-33(2)27-12-10-19(17-31-27)32-29(34)28-20-8-6-5-7-18(20)9-11-24(28)37-23-13-14-30-22-16-26(36-4)25(35-3)15-21(22)23/h5-17H,1-4H3,(H,32,34).
What are the key properties of 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide?
2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-4-yl)oxy-N-[6-(dimethylamino)-3-pyridinyl]naphthalene-1-carboxamide is sourced from PubChem (CID 87832914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).