N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide

C24H23N3O2 — CID 54839210

IUPACN-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NCC(=O)N2CCCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C24H23N3O2/c28-23(27-15-7-11-18-8-4-5-14-22(18)27)17-25-20-12-6-13-21(16-20)26-24(29)19-9-2-1-3-10-19/h1-6,8-10,12-14,16,25H,7,11,15,17H2,(H,26,29)
InChIKeyVFJPLPNKSMCCIF-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.33
Rot. Bonds5

About N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide

N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 54839210) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
PubChem CID54839210
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NCC(=O)N2CCCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C24H23N3O2/c28-23(27-15-7-11-18-8-4-5-14-22(18)27)17-25-20-12-6-13-21(16-20)26-24(29)19-9-2-1-3-10-19/h1-6,8-10,12-14,16,25H,7,11,15,17H2,(H,26,29)
InChIKeyVFJPLPNKSMCCIF-UHFFFAOYSA-N
XLogP4.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839150
3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841691
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
CID 54836679
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]ethanone
CID 54843456
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide (CID 54839210) is N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide is O=C(Nc1cccc(NCC(=O)N2CCCc3ccccc32)c1)c1ccccc1.
What is the InChIKey of N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is VFJPLPNKSMCCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23(27-15-7-11-18-8-4-5-14-22(18)27)17-25-20-12-6-13-21(16-20)26-24(29)19-9-2-1-3-10-19/h1-6,8-10,12-14,16,25H,7,11,15,17H2,(H,26,29).
What are the key properties of N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide?
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54839210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).