1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide

C17H17ClN2O — CID 173155024

IUPAC1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)C1CCc2cc(Cl)ccc2N1Cc1ccccc1
InChIInChI=1S/C17H17ClN2O/c18-14-7-9-15-13(10-14)6-8-16(17(19)21)20(15)11-12-4-2-1-3-5-12/h1-5,7,9-10,16H,6,8,11H2,(H2,19,21)
InChIKeyBLYRMFBIFYRFNN-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.15
Rot. Bonds3

About 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide

1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 173155024) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID173155024
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESNC(=O)C1CCc2cc(Cl)ccc2N1Cc1ccccc1
InChIInChI=1S/C17H17ClN2O/c18-14-7-9-15-13(10-14)6-8-16(17(19)21)20(15)11-12-4-2-1-3-5-12/h1-5,7,9-10,16H,6,8,11H2,(H2,19,21)
InChIKeyBLYRMFBIFYRFNN-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide (CID 173155024) is 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide is NC(=O)C1CCc2cc(Cl)ccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is BLYRMFBIFYRFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-7-9-15-13(10-14)6-8-16(17(19)21)20(15)11-12-4-2-1-3-5-12/h1-5,7,9-10,16H,6,8,11H2,(H2,19,21).
What are the key properties of 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide?
1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 173155024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).