3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one

C18H23N3O3 — CID 95122869

IUPAC3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one
SMILESNC1CCC([C@@H]2CC(=O)Nc3cc(N4CCOC4=O)ccc32)CC1
InChIInChI=1S/C18H23N3O3/c19-12-3-1-11(2-4-12)15-10-17(22)20-16-9-13(5-6-14(15)16)21-7-8-24-18(21)23/h5-6,9,11-12,15H,1-4,7-8,10,19H2,(H,20,22)/t11?,12?,15-/m0/s1
InChIKeyVUCWSVNKPJNBLP-QOZQQMKHSA-N
MW329.40 g/mol
LogP2.59
Rot. Bonds2

About 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one

3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one (PubChem CID 95122869) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one
PubChem CID95122869
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one
SMILESNC1CCC([C@@H]2CC(=O)Nc3cc(N4CCOC4=O)ccc32)CC1
InChIInChI=1S/C18H23N3O3/c19-12-3-1-11(2-4-12)15-10-17(22)20-16-9-13(5-6-14(15)16)21-7-8-24-18(21)23/h5-6,9,11-12,15H,1-4,7-8,10,19H2,(H,20,22)/t11?,12?,15-/m0/s1
InChIKeyVUCWSVNKPJNBLP-QOZQQMKHSA-N
XLogP2.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one (CID 95122869) is 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one is NC1CCC([C@@H]2CC(=O)Nc3cc(N4CCOC4=O)ccc32)CC1.
What is the InChIKey of 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one?
The InChIKey is VUCWSVNKPJNBLP-QOZQQMKHSA-N. The full InChI is InChI=1S/C18H23N3O3/c19-12-3-1-11(2-4-12)15-10-17(22)20-16-9-13(5-6-14(15)16)21-7-8-24-18(21)23/h5-6,9,11-12,15H,1-4,7-8,10,19H2,(H,20,22)/t11?,12?,15-/m0/s1.
What are the key properties of 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one?
3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-(4-aminocyclohexyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95122869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).