[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate

C28H27ClN2O4 — CID 18677391

IUPAC[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1OC(=O)N(C)C)Oc1ccc(O)c(Cl)c1-3
InChIInChI=1S/C28H27ClN2O4/c1-15-14-28(2,3)30-18-11-10-17-23-21(13-12-19(32)25(23)29)34-26(24(17)22(15)18)16-8-6-7-9-20(16)35-27(33)31(4)5/h6-14,26,30,32H,1-5H3
InChIKeyOWYZOPIRIKJUJW-UHFFFAOYSA-N
MW490.99 g/mol
LogP6.86
Rot. Bonds2

About [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate

[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate (PubChem CID 18677391) has the molecular formula C28H27ClN2O4 and a molecular weight of 490.99 g/mol. Its IUPAC name is [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate
PubChem CID18677391
Molecular FormulaC28H27ClN2O4
Molecular Weight490.99 g/mol
Exact Mass490.17
IUPAC Name[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1OC(=O)N(C)C)Oc1ccc(O)c(Cl)c1-3
InChIInChI=1S/C28H27ClN2O4/c1-15-14-28(2,3)30-18-11-10-17-23-21(13-12-19(32)25(23)29)34-26(24(17)22(15)18)16-8-6-7-9-20(16)35-27(33)31(4)5/h6-14,26,30,32H,1-5H3
InChIKeyOWYZOPIRIKJUJW-UHFFFAOYSA-N
XLogP6.86
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate (CID 18677391) is [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1OC(=O)N(C)C)Oc1ccc(O)c(Cl)c1-3.
What is the InChIKey of [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate?
The InChIKey is OWYZOPIRIKJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O4/c1-15-14-28(2,3)30-18-11-10-17-23-21(13-12-19(32)25(23)29)34-26(24(17)22(15)18)16-8-6-7-9-20(16)35-27(33)31(4)5/h6-14,26,30,32H,1-5H3.
What are the key properties of [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate?
[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate has a molecular weight of 490.99 g/mol, XLogP of 6.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 18677391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).