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

C24H22ClNO5 — CID 92669098

IUPAC(7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one
SMILESCc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3
InChIInChI=1S/C24H22ClNO5/c1-14-20-18(30-22(14)23(28)26-9-11-29-12-10-26)7-8-19-21(20)17(27)13-24(2,31-19)15-3-5-16(25)6-4-15/h3-8H,9-13H2,1-2H3/t24-/m1/s1
InChIKeyOQKZWKUKZWJDCW-XMMPIXPASA-N
MW439.90 g/mol
LogP4.75
Rot. Bonds2

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

(7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one (PubChem CID 92669098) has the molecular formula C24H22ClNO5 and a molecular weight of 439.90 g/mol. Its IUPAC name is (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one.

Molecular Properties

Compound Name(7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one
PubChem CID92669098
Molecular FormulaC24H22ClNO5
Molecular Weight439.90 g/mol
Exact Mass439.12
IUPAC Name(7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one
SMILESCc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3
InChIInChI=1S/C24H22ClNO5/c1-14-20-18(30-22(14)23(28)26-9-11-29-12-10-26)7-8-19-21(20)17(27)13-24(2,31-19)15-3-5-16(25)6-4-15/h3-8H,9-13H2,1-2H3/t24-/m1/s1
InChIKeyOQKZWKUKZWJDCW-XMMPIXPASA-N
XLogP4.75
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one?
The IUPAC name of (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one (CID 92669098) is (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one.
What is the SMILES notation for (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one?
The canonical SMILES for (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one is Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3.
What is the InChIKey of (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one?
The InChIKey is OQKZWKUKZWJDCW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22ClNO5/c1-14-20-18(30-22(14)23(28)26-9-11-29-12-10-26)7-8-19-21(20)17(27)13-24(2,31-19)15-3-5-16(25)6-4-15/h3-8H,9-13H2,1-2H3/t24-/m1/s1.
What are the key properties of (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one?
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one has a molecular weight of 439.90 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one is sourced from PubChem (CID 92669098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).