3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide

C25H26N4O3 — CID 69451303

IUPAC3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide
SMILESCc1cc(C(N)=O)cc2c(Nc3cccc4c3CCO4)c(C(=O)NC3CCCC3)cnc12
InChIInChI=1S/C25H26N4O3/c1-14-11-15(24(26)30)12-18-22(14)27-13-19(25(31)28-16-5-2-3-6-16)23(18)29-20-7-4-8-21-17(20)9-10-32-21/h4,7-8,11-13,16H,2-3,5-6,9-10H2,1H3,(H2,26,30)(H,27,29)(H,28,31)
InChIKeyHNYICHQJBIPWRT-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.99
Rot. Bonds5

About 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide

3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide (PubChem CID 69451303) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide
PubChem CID69451303
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide
SMILESCc1cc(C(N)=O)cc2c(Nc3cccc4c3CCO4)c(C(=O)NC3CCCC3)cnc12
InChIInChI=1S/C25H26N4O3/c1-14-11-15(24(26)30)12-18-22(14)27-13-19(25(31)28-16-5-2-3-6-16)23(18)29-20-7-4-8-21-17(20)9-10-32-21/h4,7-8,11-13,16H,2-3,5-6,9-10H2,1H3,(H2,26,30)(H,27,29)(H,28,31)
InChIKeyHNYICHQJBIPWRT-UHFFFAOYSA-N
XLogP3.99
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(2,6-dimethylmorpholine-4-carbonyl)-8-methylquinoline-3-carboxamide
CID 11397019
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(piperidine-1-carbonyl)-1,7-naphthyridine-3-carboxamide
CID 11848338
4-(3,4-dihydro-2H-chromen-5-ylamino)-6-methyl-8-methylsulfonylquinoline-3-carboxamide
CID 69254548
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-fluoro-6-methylsulfonylquinoline-3-carboxamide
CID 11269607
3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-[2-(dimethylamino)-2-oxoethyl]-8-methyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N-(2-methoxyethyl)-6-N,8-dimethyl-1,7-naphthyridine-3,6-dicarboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-6-(morpholine-4-carbonyl)-1,7-naphthyridine-3-carboxamide;4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,6-N,8-trimethyl-1,7-naphthyridine-3,6-dicarboxamide
CID 173151011
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-(oxan-4-ylsulfamoyl)quinoline-3-carboxamide
CID 69119203
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-[3-(dimethylcarbamoyl)phenyl]sulfonyl-6-methylquinoline-3-carboxamide
CID 69251791
4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-N,8-dimethyl-6-N-(1-methylpyrrolidin-3-yl)-1,7-naphthyridine-3,6-dicarboxamide;2,2,2-trifluoroacetic acid
CID 11848461
N-cyclopentyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763647
N-(2,3-dihydro-1-benzofuran-4-yl)-4,5-dimethylpyrimidin-2-amine
CID 146270414
N-cyclooctyl-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233984
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide?
The IUPAC name of 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide (CID 69451303) is 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide.
What is the SMILES notation for 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide?
The canonical SMILES for 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide is Cc1cc(C(N)=O)cc2c(Nc3cccc4c3CCO4)c(C(=O)NC3CCCC3)cnc12.
What is the InChIKey of 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide?
The InChIKey is HNYICHQJBIPWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-14-11-15(24(26)30)12-18-22(14)27-13-19(25(31)28-16-5-2-3-6-16)23(18)29-20-7-4-8-21-17(20)9-10-32-21/h4,7-8,11-13,16H,2-3,5-6,9-10H2,1H3,(H2,26,30)(H,27,29)(H,28,31).
What are the key properties of 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide?
3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methylquinoline-3,6-dicarboxamide is sourced from PubChem (CID 69451303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).