1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide

C18H16ClN3O — CID 173155196

IUPAC1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESN#Cc1ccc2c(c1)CCC(C(N)=O)N2Cc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O/c19-15-3-1-2-13(9-15)11-22-16-6-4-12(10-20)8-14(16)5-7-17(22)18(21)23/h1-4,6,8-9,17H,5,7,11H2,(H2,21,23)
InChIKeyMNLNSIWZXGJDNQ-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.02
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide

1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide (PubChem CID 173155196) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide
PubChem CID173155196
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide
SMILESN#Cc1ccc2c(c1)CCC(C(N)=O)N2Cc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3O/c19-15-3-1-2-13(9-15)11-22-16-6-4-12(10-20)8-14(16)5-7-17(22)18(21)23/h1-4,6,8-9,17H,5,7,11H2,(H2,21,23)
InChIKeyMNLNSIWZXGJDNQ-UHFFFAOYSA-N
XLogP3.02
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide (CID 173155196) is 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide is N#Cc1ccc2c(c1)CCC(C(N)=O)N2Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide?
The InChIKey is MNLNSIWZXGJDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-3-1-2-13(9-15)11-22-16-6-4-12(10-20)8-14(16)5-7-17(22)18(21)23/h1-4,6,8-9,17H,5,7,11H2,(H2,21,23).
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide?
1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinoline-2-carboxamide is sourced from PubChem (CID 173155196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).