(4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline

C18H16ClNO — CID 11493122

IUPAC(4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline
SMILESCN1Cc2c(ccc3occc23)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16ClNO/c1-20-10-16(12-2-4-13(19)5-3-12)14-6-7-18-15(8-9-21-18)17(14)11-20/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeySFFWNTMOSLITBU-INIZCTEOSA-N
MW297.79 g/mol
LogP4.66
Rot. Bonds1

About (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline

(4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline (PubChem CID 11493122) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline
PubChem CID11493122
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name(4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline
SMILESCN1Cc2c(ccc3occc23)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H16ClNO/c1-20-10-16(12-2-4-13(19)5-3-12)14-6-7-18-15(8-9-21-18)17(14)11-20/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeySFFWNTMOSLITBU-INIZCTEOSA-N
XLogP4.66
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline?
The IUPAC name of (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline (CID 11493122) is (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline?
The canonical SMILES for (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline is CN1Cc2c(ccc3occc23)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline?
The InChIKey is SFFWNTMOSLITBU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-20-10-16(12-2-4-13(19)5-3-12)14-6-7-18-15(8-9-21-18)17(14)11-20/h2-9,16H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline?
(4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline has a molecular weight of 297.79 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline is sourced from PubChem (CID 11493122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).