1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide

C26H35N5O3 — CID 118660224

IUPAC1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(=O)NCCN3CCOCC3)cc2C(Nc2cccc(C)n2)C(C)C1C
InChIInChI=1S/C26H35N5O3/c1-17-6-5-7-24(28-17)29-25-18(2)19(3)31(20(4)32)23-9-8-21(16-22(23)25)26(33)27-10-11-30-12-14-34-15-13-30/h5-9,16,18-19,25H,10-15H2,1-4H3,(H,27,33)(H,28,29)
InChIKeyQUNQIRCCPGCLNF-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.00
Rot. Bonds6

About 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 118660224) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID118660224
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(=O)NCCN3CCOCC3)cc2C(Nc2cccc(C)n2)C(C)C1C
InChIInChI=1S/C26H35N5O3/c1-17-6-5-7-24(28-17)29-25-18(2)19(3)31(20(4)32)23-9-8-21(16-22(23)25)26(33)27-10-11-30-12-14-34-15-13-30/h5-9,16,18-19,25H,10-15H2,1-4H3,(H,27,33)(H,28,29)
InChIKeyQUNQIRCCPGCLNF-UHFFFAOYSA-N
XLogP3.00
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R)-1-acetyl-2,3-dimethyl-N-[2-(methylamino)ethyl]-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 90434817
1-[2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123236683
(2S,3R,4R)-1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 90434845
(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-(oxetan-3-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118660443
N-(2-cyanoethyl)-1-(1-hydroxyethyl)-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 123812942
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 118660224) is 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N1c2ccc(C(=O)NCCN3CCOCC3)cc2C(Nc2cccc(C)n2)C(C)C1C.
What is the InChIKey of 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is QUNQIRCCPGCLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-17-6-5-7-24(28-17)29-25-18(2)19(3)31(20(4)32)23-9-8-21(16-22(23)25)26(33)27-10-11-30-12-14-34-15-13-30/h5-9,16,18-19,25H,10-15H2,1-4H3,(H,27,33)(H,28,29).
What are the key properties of 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 118660224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).