N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C17H18N2O2 — CID 2815256

IUPACN-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C17H18N2O2/c1-21-15-9-4-8-14(12-15)18-17(20)19-11-5-7-13-6-2-3-10-16(13)19/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,18,20)
InChIKeyKPRLTERGDLTKOL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.68
Rot. Bonds2

About N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 2815256) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID2815256
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C17H18N2O2/c1-21-15-9-4-8-14(12-15)18-17(20)19-11-5-7-13-6-2-3-10-16(13)19/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,18,20)
InChIKeyKPRLTERGDLTKOL-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 2815256) is N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is COc1cccc(NC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is KPRLTERGDLTKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-15-9-4-8-14(12-15)18-17(20)19-11-5-7-13-6-2-3-10-16(13)19/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 2815256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).