6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one

C20H23N3O2 — CID 85471486

IUPAC6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one
SMILESCC(=O)N1c2ccccc2[C@H](Nc2cccc(=O)[nH]2)[C@@H](C)[C@@H]1C1CC1
InChIInChI=1S/C20H23N3O2/c1-12-19(22-17-8-5-9-18(25)21-17)15-6-3-4-7-16(15)23(13(2)24)20(12)14-10-11-14/h3-9,12,14,19-20H,10-11H2,1-2H3,(H2,21,22,25)/t12-,19-,20-/m1/s1
InChIKeyXVBCNMZYXFPEKD-TVNIXMEMSA-N
MW337.42 g/mol
LogP3.31
Rot. Bonds3

About 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one

6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one (PubChem CID 85471486) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one
PubChem CID85471486
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one
SMILESCC(=O)N1c2ccccc2[C@H](Nc2cccc(=O)[nH]2)[C@@H](C)[C@@H]1C1CC1
InChIInChI=1S/C20H23N3O2/c1-12-19(22-17-8-5-9-18(25)21-17)15-6-3-4-7-16(15)23(13(2)24)20(12)14-10-11-14/h3-9,12,14,19-20H,10-11H2,1-2H3,(H2,21,22,25)/t12-,19-,20-/m1/s1
InChIKeyXVBCNMZYXFPEKD-TVNIXMEMSA-N
XLogP3.31
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one (CID 85471486) is 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one is CC(=O)N1c2ccccc2[C@H](Nc2cccc(=O)[nH]2)[C@@H](C)[C@@H]1C1CC1.
What is the InChIKey of 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one?
The InChIKey is XVBCNMZYXFPEKD-TVNIXMEMSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-19(22-17-8-5-9-18(25)21-17)15-6-3-4-7-16(15)23(13(2)24)20(12)14-10-11-14/h3-9,12,14,19-20H,10-11H2,1-2H3,(H2,21,22,25)/t12-,19-,20-/m1/s1.
What are the key properties of 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one?
6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,3R,4R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 85471486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).