1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

C22H26N4O3 — CID 86709433

IUPAC1-[(2S,4R)-4-amino-2-methyl-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](N)C[C@@H]1C
InChIInChI=1S/C22H26N4O3/c1-14-11-19(23)18-12-16(4-6-21(18)26(14)15(2)27)20-5-3-17(13-24-20)22(28)25-7-9-29-10-8-25/h3-6,12-14,19H,7-11,23H2,1-2H3/t14-,19+/m0/s1
InChIKeyNLEYISYXIUVRQE-IFXJQAMLSA-N
MW394.48 g/mol
LogP2.37
Rot. Bonds2

About 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 86709433) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID86709433
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[(2S,4R)-4-amino-2-methyl-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](N)C[C@@H]1C
InChIInChI=1S/C22H26N4O3/c1-14-11-19(23)18-12-16(4-6-21(18)26(14)15(2)27)20-5-3-17(13-24-20)22(28)25-7-9-29-10-8-25/h3-6,12-14,19H,7-11,23H2,1-2H3/t14-,19+/m0/s1
InChIKeyNLEYISYXIUVRQE-IFXJQAMLSA-N
XLogP2.37
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-acetyl-2-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-quinolin-4-yl] carbamate;hydrochloride
CID 70661954
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-[(2S,4R)-4-amino-2-methyl-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 67195867
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
1-[(7S,9R)-9-amino-7-methyl-3,7,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-6-yl]ethanone
CID 67492357
methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 129145240
1-acetyl-2-methyl-4-(4-morpholin-4-ylanilino)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25254949
[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 67534144
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 86709433) is 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-amino-2-methyl-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](N)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is NLEYISYXIUVRQE-IFXJQAMLSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-11-19(23)18-12-16(4-6-21(18)26(14)15(2)27)20-5-3-17(13-24-20)22(28)25-7-9-29-10-8-25/h3-6,12-14,19H,7-11,23H2,1-2H3/t14-,19+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 394.48 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-amino-2-methyl-6-[5-(morpholine-4-carbonyl)-2-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 86709433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).