4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide

C25H24ClN3O3 — CID 158237218

IUPAC4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide
SMILESCNC(=O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1
InChIInChI=1S/C25H24ClN3O3/c1-27-24(30)15-5-6-19-18(7-8-28-21(19)12-15)20-14-17(26)11-16-13-22(32-23(16)20)25(31)29-9-3-2-4-10-29/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,27,30)
InChIKeyQLRQBXGLRCSTAY-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.23
Rot. Bonds3

About 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide

4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide (PubChem CID 158237218) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide
PubChem CID158237218
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide
SMILESCNC(=O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1
InChIInChI=1S/C25H24ClN3O3/c1-27-24(30)15-5-6-19-18(7-8-28-21(19)12-15)20-14-17(26)11-16-13-22(32-23(16)20)25(31)29-9-3-2-4-10-29/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,27,30)
InChIKeyQLRQBXGLRCSTAY-UHFFFAOYSA-N
XLogP4.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 44432362
3-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(pyridin-4-ylmethyl)-benzamide
CID 44432365
US11866436, Example 17
CID 164915306
6-[4-(5-chloro-1H-indol-3-yl)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 151245465
N-({7-[2-(4-chloro-2-methylphenoxy)propanoyl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl}methyl)-2-fluorobenzamide
CID 45175588
6-[3-[[4-chloro-2-(6-methyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226324
6-[3-[[4-chloro-2-(2-ethyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226347
6-[3-[(4-chloro-2-pyridin-2-ylphenoxy)methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226375
6-[3-[[4-chloro-2-(2-methyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226429
6-[3-[[4-chloro-2-(2-methyl-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226673
1-[[4-[5-chloro-2-[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione
CID 138610526
6-[4-(5-chloro-6-fluoro-1-methylindol-3-yl)piperidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 147467242

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide?
The IUPAC name of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide (CID 158237218) is 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide.
What is the SMILES notation for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide?
The canonical SMILES for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide is CNC(=O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.
What is the InChIKey of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide?
The InChIKey is QLRQBXGLRCSTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-27-24(30)15-5-6-19-18(7-8-28-21(19)12-15)20-14-17(26)11-16-13-22(32-23(16)20)25(31)29-9-3-2-4-10-29/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,27,30).
What are the key properties of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide?
4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide has a molecular weight of 449.94 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide is sourced from PubChem (CID 158237218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).