ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate

C25H26N4O3 — CID 135259712

IUPACethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3c(c2)[C@H](Nc2ccccn2)C[C@@H](C)N3C(C)=O)nc1
InChIInChI=1S/C25H26N4O3/c1-4-32-25(31)19-8-10-21(27-15-19)18-9-11-23-20(14-18)22(13-16(2)29(23)17(3)30)28-24-7-5-6-12-26-24/h5-12,14-16,22H,4,13H2,1-3H3,(H,26,28)/t16-,22-/m1/s1
InChIKeyGNEKEVAUUUSENW-OPAMFIHVSA-N
MW430.51 g/mol
LogP4.62
Rot. Bonds5

About ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate

ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate (PubChem CID 135259712) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
PubChem CID135259712
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Nameethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3c(c2)[C@H](Nc2ccccn2)C[C@@H](C)N3C(C)=O)nc1
InChIInChI=1S/C25H26N4O3/c1-4-32-25(31)19-8-10-21(27-15-19)18-9-11-23-20(14-18)22(13-16(2)29(23)17(3)30)28-24-7-5-6-12-26-24/h5-12,14-16,22H,4,13H2,1-3H3,(H,26,28)/t16-,22-/m1/s1
InChIKeyGNEKEVAUUUSENW-OPAMFIHVSA-N
XLogP4.62
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 78077556
4-[(2S,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-(2,3-dihydroxypropyl)benzamide
CID 70976660
1-[2-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 78077976
formic acid;1-[(2S,4R)-2-methyl-4-(pyridin-2-ylamino)-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71468645
1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71467941
butyl (2S,4R)-1-acetyl-4-[[5-(aziridin-2-yl)-2-pyridinyl]amino]-2-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 145030639
4-[(2S,4R)-1-acetyl-2-methyl-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 70976631
methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-[(5-nitro-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-6-yl]benzoate
CID 70976485
ethyl 4-[[1-acetyl-6-(methanesulfonamido)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-3-methylbenzoate
CID 66624855
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431
[1-[4-[(2S,4R)-1-acetyl-4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]-3-phenylpropan-2-yl]carbamic acid
CID 67207668
1-[(2S,4R)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 148785687

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate (CID 135259712) is ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc3c(c2)[C@H](Nc2ccccn2)C[C@@H](C)N3C(C)=O)nc1.
What is the InChIKey of ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate?
The InChIKey is GNEKEVAUUUSENW-OPAMFIHVSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-32-25(31)19-8-10-21(27-15-19)18-9-11-23-20(14-18)22(13-16(2)29(23)17(3)30)28-24-7-5-6-12-26-24/h5-12,14-16,22H,4,13H2,1-3H3,(H,26,28)/t16-,22-/m1/s1.
What are the key properties of ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate?
ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate is sourced from PubChem (CID 135259712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).