cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate

C24H26ClN3O2 — CID 11604237

IUPACcyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate
SMILESN#Cc1ccc2c(c1)CC(NC(=O)OC1CCCCC1)CN2Cc1cccc(Cl)c1
InChIInChI=1S/C24H26ClN3O2/c25-20-6-4-5-18(12-20)15-28-16-21(13-19-11-17(14-26)9-10-23(19)28)27-24(29)30-22-7-2-1-3-8-22/h4-6,9-12,21-22H,1-3,7-8,13,15-16H2,(H,27,29)
InChIKeyQVKYXGKBVZXCQI-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.20
Rot. Bonds4

About cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate

cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate (PubChem CID 11604237) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate
PubChem CID11604237
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Namecyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate
SMILESN#Cc1ccc2c(c1)CC(NC(=O)OC1CCCCC1)CN2Cc1cccc(Cl)c1
InChIInChI=1S/C24H26ClN3O2/c25-20-6-4-5-18(12-20)15-28-16-21(13-19-11-17(14-26)9-10-23(19)28)27-24(29)30-22-7-2-1-3-8-22/h4-6,9-12,21-22H,1-3,7-8,13,15-16H2,(H,27,29)
InChIKeyQVKYXGKBVZXCQI-UHFFFAOYSA-N
XLogP5.20
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate?
The IUPAC name of cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate (CID 11604237) is cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate.
What is the SMILES notation for cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate?
The canonical SMILES for cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate is N#Cc1ccc2c(c1)CC(NC(=O)OC1CCCCC1)CN2Cc1cccc(Cl)c1.
What is the InChIKey of cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate?
The InChIKey is QVKYXGKBVZXCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c25-20-6-4-5-18(12-20)15-28-16-21(13-19-11-17(14-26)9-10-23(19)28)27-24(29)30-22-7-2-1-3-8-22/h4-6,9-12,21-22H,1-3,7-8,13,15-16H2,(H,27,29).
What are the key properties of cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate?
cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate has a molecular weight of 423.94 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]carbamate is sourced from PubChem (CID 11604237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).