1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone

C22H25N3O3 — CID 54836679

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
SMILESO=C(c1cccc(NCC(=O)N2CCCc3ccccc32)c1)N1CCOCC1
InChIInChI=1S/C22H25N3O3/c26-21(25-10-4-7-17-5-1-2-9-20(17)25)16-23-19-8-3-6-18(15-19)22(27)24-11-13-28-14-12-24/h1-3,5-6,8-9,15,23H,4,7,10-14,16H2
InChIKeyVAPJAQHGICZZAA-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.55
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone (PubChem CID 54836679) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
PubChem CID54836679
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
SMILESO=C(c1cccc(NCC(=O)N2CCCc3ccccc32)c1)N1CCOCC1
InChIInChI=1S/C22H25N3O3/c26-21(25-10-4-7-17-5-1-2-9-20(17)25)16-23-19-8-3-6-18(15-19)22(27)24-11-13-28-14-12-24/h1-3,5-6,8-9,15,23H,4,7,10-14,16H2
InChIKeyVAPJAQHGICZZAA-UHFFFAOYSA-N
XLogP2.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]ethanone
CID 54843456
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839210
2-(1,3-benzodioxol-5-ylamino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007346
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
N-[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 54839150
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
N-methyl-2-[3-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54836368
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone (CID 54836679) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone is O=C(c1cccc(NCC(=O)N2CCCc3ccccc32)c1)N1CCOCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone?
The InChIKey is VAPJAQHGICZZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(25-10-4-7-17-5-1-2-9-20(17)25)16-23-19-8-3-6-18(15-19)22(27)24-11-13-28-14-12-24/h1-3,5-6,8-9,15,23H,4,7,10-14,16H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone has a molecular weight of 379.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone is sourced from PubChem (CID 54836679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).