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

C18H19N3O2 — CID 75455915

IUPAC1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESNC(=O)c1cccc(CN2CCCc3cc(C(N)=O)ccc32)c1
InChIInChI=1S/C18H19N3O2/c19-17(22)14-4-1-3-12(9-14)11-21-8-2-5-13-10-15(18(20)23)6-7-16(13)21/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,19,22)(H2,20,23)
InChIKeyMESFXWSEUDKRRI-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.84
Rot. Bonds4

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

1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 75455915) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID75455915
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESNC(=O)c1cccc(CN2CCCc3cc(C(N)=O)ccc32)c1
InChIInChI=1S/C18H19N3O2/c19-17(22)14-4-1-3-12(9-14)11-21-8-2-5-13-10-15(18(20)23)6-7-16(13)21/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,19,22)(H2,20,23)
InChIKeyMESFXWSEUDKRRI-UHFFFAOYSA-N
XLogP1.84
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
CID 90075277
1-[[4-(5-methylidenepyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 130230501
3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzamide
CID 63101425
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
CID 43823759
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)benzamide
CID 115311326
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
3-[(2-oxo-1,4-diazepan-1-yl)methyl]benzamide
CID 65362431
4-[[6-(1,3-diiminopropan-2-yl)-3,4-dihydro-2H-quinolin-1-yl]methyl]benzamide
CID 123808114
4-[[5-[(3,3-dimethylbutylamino)methyl]-2,3-dihydroindol-1-yl]methyl]benzamide
CID 11199378
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 61015450

Frequently Asked Questions

What is the IUPAC name of 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 75455915) is 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is NC(=O)c1cccc(CN2CCCc3cc(C(N)=O)ccc32)c1.
What is the InChIKey of 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is MESFXWSEUDKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-17(22)14-4-1-3-12(9-14)11-21-8-2-5-13-10-15(18(20)23)6-7-16(13)21/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,19,22)(H2,20,23).
What are the key properties of 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 75455915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).