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

C28H31N5O3 — CID 71467941

IUPAC1-[(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
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)cn3)cc2[C@H](Nc2ccc(C)cn2)C[C@@H]1C
InChIInChI=1S/C28H31N5O3/c1-18-4-9-27(30-16-18)31-25-14-19(2)33(20(3)34)26-8-6-21(15-23(25)26)24-7-5-22(17-29-24)28(35)32-10-12-36-13-11-32/h4-9,15-17,19,25H,10-14H2,1-3H3,(H,30,31)/t19-,25+/m0/s1
InChIKeyCJDFFTPYOVZFLT-UQBPGWFLSA-N
MW485.59 g/mol
LogP4.22
Rot. Bonds4

About 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

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 (PubChem CID 71467941) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID71467941
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name1-[(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
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)cn3)cc2[C@H](Nc2ccc(C)cn2)C[C@@H]1C
InChIInChI=1S/C28H31N5O3/c1-18-4-9-27(30-16-18)31-25-14-19(2)33(20(3)34)26-8-6-21(15-23(25)26)24-7-5-22(17-29-24)28(35)32-10-12-36-13-11-32/h4-9,15-17,19,25H,10-14H2,1-3H3,(H,30,31)/t19-,25+/m0/s1
InChIKeyCJDFFTPYOVZFLT-UQBPGWFLSA-N
XLogP4.22
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 86709433
1-[2-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 78077976
1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 78077780
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
1-[(2R,4S)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52932799
ethyl 6-[(2R,4R)-1-acetyl-2-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 135259712
1-[2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[2-tri(propan-2-yl)silylethynyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 77240819
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431
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
methyl 4-[(2S,4R)-1-acetyl-2-methyl-4-[(5-nitro-2-pyridinyl)amino]-3,4-dihydro-2H-quinolin-6-yl]benzoate
CID 70976485
1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25254949
[(2S,4R)-1-acetyl-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]carbamic acid
CID 123805676

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)cn3)cc2[C@H](Nc2ccc(C)cn2)C[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is CJDFFTPYOVZFLT-UQBPGWFLSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18-4-9-27(30-16-18)31-25-14-19(2)33(20(3)34)26-8-6-21(15-23(25)26)24-7-5-22(17-29-24)28(35)32-10-12-36-13-11-32/h4-9,15-17,19,25H,10-14H2,1-3H3,(H,30,31)/t19-,25+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 485.59 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71467941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).