(7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one

C26H27ClN2O4 — CID 92669104

IUPAC(7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one
SMILESCCN1CCN(C(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@@](C)(c2ccc(Cl)cc2)O4)CC1
InChIInChI=1S/C26H27ClN2O4/c1-4-28-11-13-29(14-12-28)25(31)24-16(2)22-20(32-24)9-10-21-23(22)19(30)15-26(3,33-21)17-5-7-18(27)8-6-17/h5-10H,4,11-15H2,1-3H3/t26-/m0/s1
InChIKeyFMPPBQROODQGKP-SANMLTNESA-N
MW466.97 g/mol
LogP5.05
Rot. Bonds3

About (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one

(7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one (PubChem CID 92669104) has the molecular formula C26H27ClN2O4 and a molecular weight of 466.97 g/mol. Its IUPAC name is (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one.

Molecular Properties

Compound Name(7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one
PubChem CID92669104
Molecular FormulaC26H27ClN2O4
Molecular Weight466.97 g/mol
Exact Mass466.17
IUPAC Name(7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one
SMILESCCN1CCN(C(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@@](C)(c2ccc(Cl)cc2)O4)CC1
InChIInChI=1S/C26H27ClN2O4/c1-4-28-11-13-29(14-12-28)25(31)24-16(2)22-20(32-24)9-10-21-23(22)19(30)15-26(3,33-21)17-5-7-18(27)8-6-17/h5-10H,4,11-15H2,1-3H3/t26-/m0/s1
InChIKeyFMPPBQROODQGKP-SANMLTNESA-N
XLogP5.05
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one with MolForge

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Launch Full Analysis

Related Compounds

(7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one
CID 92669098
(7S)-7-(4-chlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one
CID 98467339
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-[[(2R)-oxolan-2-yl]methyl]-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669134
1-methyl-2-(4-phenylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-9-one
CID 22511267
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
CID 6623148
(4-ethylpiperazin-1-yl)-(3-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)methanone
CID 129045823
N-cyclopentyl-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886050
(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 42510639
5-chloro-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)-1-benzofuran-2-one
CID 19838027
(4-benzyl-1,4-diazepan-1-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 18157497
2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-4-one
CID 4870406
(5-chloro-3-methyl-1-benzofuran-2-yl)-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55860229

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one?
The IUPAC name of (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one (CID 92669104) is (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one.
What is the SMILES notation for (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one?
The canonical SMILES for (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one is CCN1CCN(C(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@@](C)(c2ccc(Cl)cc2)O4)CC1.
What is the InChIKey of (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one?
The InChIKey is FMPPBQROODQGKP-SANMLTNESA-N. The full InChI is InChI=1S/C26H27ClN2O4/c1-4-28-11-13-29(14-12-28)25(31)24-16(2)22-20(32-24)9-10-21-23(22)19(30)15-26(3,33-21)17-5-7-18(27)8-6-17/h5-10H,4,11-15H2,1-3H3/t26-/m0/s1.
What are the key properties of (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one?
(7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one has a molecular weight of 466.97 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one is sourced from PubChem (CID 92669104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).