N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide

C27H24N4O3 — CID 66721282

IUPACN-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2cccc4cccnc24)CC3)ccn1
InChIInChI=1S/C27H24N4O3/c1-28-27(33)24-16-22(11-13-29-24)34-21-10-8-17-7-9-20(14-19(17)15-21)31-26(32)23-6-2-4-18-5-3-12-30-25(18)23/h2-6,8,10-13,15-16,20H,7,9,14H2,1H3,(H,28,33)(H,31,32)
InChIKeyCFMYLJPDTWBLDV-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.07
Rot. Bonds5

About N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide

N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide (PubChem CID 66721282) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide
PubChem CID66721282
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2cccc4cccnc24)CC3)ccn1
InChIInChI=1S/C27H24N4O3/c1-28-27(33)24-16-22(11-13-29-24)34-21-10-8-17-7-9-20(14-19(17)15-21)31-26(32)23-6-2-4-18-5-3-12-30-25(18)23/h2-6,8,10-13,15-16,20H,7,9,14H2,1H3,(H,28,33)(H,31,32)
InChIKeyCFMYLJPDTWBLDV-UHFFFAOYSA-N
XLogP4.07
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721564
N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenoxypyridine-3-carboxamide
CID 66721366
N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721431
4-methoxy-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-2-carboxamide
CID 66721255
4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 66721610
4-[[7-(1,3-benzodioxole-5-carbonylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721708
4-[[7-[(4-fluoro-3-methoxybenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721381
4-[[7-[[4-(2,5-dimethoxybenzoyl)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721424
5-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indazole-3-carboxamide
CID 66721190
4-[[7-[[2,5-dimethyl-4-(thiophen-2-ylmethylsulfamoyl)furan-3-carbonyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 66721703
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carboxamide
CID 60704921

Frequently Asked Questions

What is the IUPAC name of N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide?
The IUPAC name of N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide (CID 66721282) is N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2cccc4cccnc24)CC3)ccn1.
What is the InChIKey of N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide?
The InChIKey is CFMYLJPDTWBLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-28-27(33)24-16-22(11-13-29-24)34-21-10-8-17-7-9-20(14-19(17)15-21)31-26(32)23-6-2-4-18-5-3-12-30-25(18)23/h2-6,8,10-13,15-16,20H,7,9,14H2,1H3,(H,28,33)(H,31,32).
What are the key properties of N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide?
N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-8-carboxamide is sourced from PubChem (CID 66721282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).