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

C27H28FN5O3 — CID 78077780

IUPAC1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)nc3)cc2C(Nc2ccc(F)cn2)CC1C
InChIInChI=1S/C27H28FN5O3/c1-17-13-24(31-26-8-5-21(28)16-30-26)22-14-19(4-7-25(22)33(17)18(2)34)20-3-6-23(29-15-20)27(35)32-9-11-36-12-10-32/h3-8,14-17,24H,9-13H2,1-2H3,(H,30,31)
InChIKeyJJICPYPMPGFEAO-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.05
Rot. Bonds4

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

1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 78077780) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID78077780
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)nc3)cc2C(Nc2ccc(F)cn2)CC1C
InChIInChI=1S/C27H28FN5O3/c1-17-13-24(31-26-8-5-21(28)16-30-26)22-14-19(4-7-25(22)33(17)18(2)34)20-3-6-23(29-15-20)27(35)32-9-11-36-12-10-32/h3-8,14-17,24H,9-13H2,1-2H3,(H,30,31)
InChIKeyJJICPYPMPGFEAO-UHFFFAOYSA-N
XLogP4.05
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-4-(pyrazin-2-ylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 70976548
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-[(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
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-[(2S,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118870774
1-[2-methyl-4-[(5-methyl-2-pyridinyl)amino]-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 67207683
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
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-(3H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 148785687
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-[(2R,4S)-4-(3-fluoroanilino)-2-methyl-6-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52933252

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 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) is 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3ccc(C(=O)N4CCOCC4)nc3)cc2C(Nc2ccc(F)cn2)CC1C.
What is the InChIKey of 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is JJICPYPMPGFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c1-17-13-24(31-26-8-5-21(28)16-30-26)22-14-19(4-7-25(22)33(17)18(2)34)20-3-6-23(29-15-20)27(35)32-9-11-36-12-10-32/h3-8,14-17,24H,9-13H2,1-2H3,(H,30,31).
What are the key properties of 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 489.55 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2-pyridinyl)amino]-2-methyl-6-[6-(morpholine-4-carbonyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 78077780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).