1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide

C23H28N4O3 — CID 58032147

IUPAC1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(N)=O)cc2C(Nc2cccc(N3CCOCC3)c2)CC1C
InChIInChI=1S/C23H28N4O3/c1-15-12-21(20-13-17(23(24)29)6-7-22(20)27(15)16(2)28)25-18-4-3-5-19(14-18)26-8-10-30-11-9-26/h3-7,13-15,21,25H,8-12H2,1-2H3,(H2,24,29)
InChIKeyDQGKJCVXXYRUTR-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.92
Rot. Bonds4

About 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 58032147) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID58032147
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(N)=O)cc2C(Nc2cccc(N3CCOCC3)c2)CC1C
InChIInChI=1S/C23H28N4O3/c1-15-12-21(20-13-17(23(24)29)6-7-22(20)27(15)16(2)28)25-18-4-3-5-19(14-18)26-8-10-30-11-9-26/h3-7,13-15,21,25H,8-12H2,1-2H3,(H2,24,29)
InChIKeyDQGKJCVXXYRUTR-UHFFFAOYSA-N
XLogP2.92
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25254949
4-[(1-acetyl-2-methyl-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide
CID 46932548
(2S,4R)-1-acetyl-4-[4-(2-amino-2-oxoethyl)anilino]-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 66625459
2-[4-[[(2R,4S)-1-acetyl-6-carbamoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetic acid
CID 66625594
6-[[1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]hexanoic acid
CID 90374048
1-[(2R,4S)-2-methyl-4-(3-methylanilino)-6-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52933251
1-[(2R,4S)-4-(3-chloroanilino)-2-methyl-6-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52933250
1-[(2R,4S)-4-(3-fluoroanilino)-2-methyl-6-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52933252
4-[4-[[1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carbonyl]amino]phenyl]-2-methylbutanoic acid
CID 66634457
4-[(1-acetyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-4-yl)amino]-3-methylbenzamide
CID 66625549
1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182590
tert-butyl 4-[3-[[(2S,3R,4R)-1-acetyl-6-carbamoyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperazine-1-carboxylate
CID 118660380

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 58032147) is 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N1c2ccc(C(N)=O)cc2C(Nc2cccc(N3CCOCC3)c2)CC1C.
What is the InChIKey of 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is DQGKJCVXXYRUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-12-21(20-13-17(23(24)29)6-7-22(20)27(15)16(2)28)25-18-4-3-5-19(14-18)26-8-10-30-11-9-26/h3-7,13-15,21,25H,8-12H2,1-2H3,(H2,24,29).
What are the key properties of 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-4-(3-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 58032147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).