(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C25H22ClNO — CID 57286996

IUPAC(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)cc1)Oc1ccccc1-3
InChIInChI=1S/C25H22ClNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-14,24,27H,1-3H3/t24-/m1/s1
InChIKeyHTCMKQLSSZWFTP-XMMPIXPASA-N
MW387.91 g/mol
LogP7.10
Rot. Bonds1

About (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 57286996) has the molecular formula C25H22ClNO and a molecular weight of 387.91 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID57286996
Molecular FormulaC25H22ClNO
Molecular Weight387.91 g/mol
Exact Mass387.14
IUPAC Name(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)cc1)Oc1ccccc1-3
InChIInChI=1S/C25H22ClNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-14,24,27H,1-3H3/t24-/m1/s1
InChIKeyHTCMKQLSSZWFTP-XMMPIXPASA-N
XLogP7.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 57286996) is (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Cl)cc1)Oc1ccccc1-3.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is HTCMKQLSSZWFTP-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22ClNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-14,24,27H,1-3H3/t24-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
(5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 387.91 g/mol, XLogP of 7.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 57286996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).