3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide

C20H18N2O3 — CID 90355740

IUPAC3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide
SMILESCn1c(=O)c(O)c(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C20H18N2O3/c1-22-16-10-6-5-9-13(16)17(18(23)20(22)25)19(24)21-15-11-14(15)12-7-3-2-4-8-12/h2-10,14-15,23H,11H2,1H3,(H,21,24)/t14-,15+/m1/s1
InChIKeyZLBDCBXGFSZYHS-CABCVRRESA-N
MW334.38 g/mol
LogP2.53
Rot. Bonds3

About 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide

3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide (PubChem CID 90355740) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide
PubChem CID90355740
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide
SMILESCn1c(=O)c(O)c(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C20H18N2O3/c1-22-16-10-6-5-9-13(16)17(18(23)20(22)25)19(24)21-15-11-14(15)12-7-3-2-4-8-12/h2-10,14-15,23H,11H2,1H3,(H,21,24)/t14-,15+/m1/s1
InChIKeyZLBDCBXGFSZYHS-CABCVRRESA-N
XLogP2.53
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide (CID 90355740) is 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide is Cn1c(=O)c(O)c(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide?
The InChIKey is ZLBDCBXGFSZYHS-CABCVRRESA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22-16-10-6-5-9-13(16)17(18(23)20(22)25)19(24)21-15-11-14(15)12-7-3-2-4-8-12/h2-10,14-15,23H,11H2,1H3,(H,21,24)/t14-,15+/m1/s1.
What are the key properties of 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide?
3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide is sourced from PubChem (CID 90355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).