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

C23H30N4O2 — CID 135265109

IUPAC1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCC1[C@H](C)C(Nc2ccccn2)c2cc(N3CCOCC3)ccc2N1C(C)=O
InChIInChI=1S/C23H30N4O2/c1-4-20-16(2)23(25-22-7-5-6-10-24-22)19-15-18(26-11-13-29-14-12-26)8-9-21(19)27(20)17(3)28/h5-10,15-16,20,23H,4,11-14H2,1-3H3,(H,24,25)/t16-,20?,23?/m0/s1
InChIKeyPTETYVVCHAYUJB-LIEIEOFGSA-N
MW394.52 g/mol
LogP3.85
Rot. Bonds4

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

1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 135265109) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID135265109
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCC1[C@H](C)C(Nc2ccccn2)c2cc(N3CCOCC3)ccc2N1C(C)=O
InChIInChI=1S/C23H30N4O2/c1-4-20-16(2)23(25-22-7-5-6-10-24-22)19-15-18(26-11-13-29-14-12-26)8-9-21(19)27(20)17(3)28/h5-10,15-16,20,23H,4,11-14H2,1-3H3,(H,24,25)/t16-,20?,23?/m0/s1
InChIKeyPTETYVVCHAYUJB-LIEIEOFGSA-N
XLogP3.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S,3R,4R)-2-ethyl-3-methyl-4-[(5-methylpyrazin-2-yl)amino]-6-morpholin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 85472797
1-[(2S,3R,4R)-2-ethyl-6-fluoro-3-methyl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 130191337
1-[2-ethyl-3-methyl-4-[(5-methylpyrazin-2-yl)amino]-6-piperazin-1-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144701654
1-[(2S)-2-hydroxy-3-methyl-6-morpholin-4-yl-4-[1-(pyridin-2-ylmethyl)cyclopropyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 163498048
(3R,4R)-1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 144701745
1-acetyl-N,2-diethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118660258
1-[(2S)-4-[[5-(aziridin-2-yl)-2-pyridinyl]amino]-2-ethyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144701628
1-[2-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 78077976
(2S,3R)-1-acetyl-4-[(5-cyano-2-pyridinyl)amino]-2-ethyl-N,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 129081556
1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-piperidin-4-yl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118660082
1-[2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123236683
1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 85472011

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 135265109) is 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCC1[C@H](C)C(Nc2ccccn2)c2cc(N3CCOCC3)ccc2N1C(C)=O.
What is the InChIKey of 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is PTETYVVCHAYUJB-LIEIEOFGSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-20-16(2)23(25-22-7-5-6-10-24-22)19-15-18(26-11-13-29-14-12-26)8-9-21(19)27(20)17(3)28/h5-10,15-16,20,23H,4,11-14H2,1-3H3,(H,24,25)/t16-,20?,23?/m0/s1.
What are the key properties of 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-ethyl-3-methyl-6-morpholin-4-yl-4-(pyridin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 135265109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).