1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C19H21N3O2 — CID 78866067

IUPAC1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2CC(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2/c20-19(24)16-8-4-10-17-15(16)9-5-11-22(17)13-18(23)21-12-14-6-2-1-3-7-14/h1-4,6-8,10H,5,9,11-13H2,(H2,20,24)(H,21,23)
InChIKeyPRZFUIAWQPEMOR-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.85
Rot. Bonds5

About 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 78866067) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID78866067
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2CC(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2/c20-19(24)16-8-4-10-17-15(16)9-5-11-22(17)13-18(23)21-12-14-6-2-1-3-7-14/h1-4,6-8,10H,5,9,11-13H2,(H2,20,24)(H,21,23)
InChIKeyPRZFUIAWQPEMOR-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 78866067) is 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide is NC(=O)c1cccc2c1CCCN2CC(=O)NCc1ccccc1.
What is the InChIKey of 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is PRZFUIAWQPEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-19(24)16-8-4-10-17-15(16)9-5-11-22(17)13-18(23)21-12-14-6-2-1-3-7-14/h1-4,6-8,10H,5,9,11-13H2,(H2,20,24)(H,21,23).
What are the key properties of 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 78866067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).