6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide

C15H18N2O3 — CID 118460153

IUPAC6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide
SMILESCc1cc2c(cc1O)c(=O)c(C(=O)NC(C)C)cn2C
InChIInChI=1S/C15H18N2O3/c1-8(2)16-15(20)11-7-17(4)12-5-9(3)13(18)6-10(12)14(11)19/h5-8,18H,1-4H3,(H,16,20)
InChIKeyFJWYSWZNKXSZJA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.69
Rot. Bonds2

About 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide

6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide (PubChem CID 118460153) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide
PubChem CID118460153
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide
SMILESCc1cc2c(cc1O)c(=O)c(C(=O)NC(C)C)cn2C
InChIInChI=1S/C15H18N2O3/c1-8(2)16-15(20)11-7-17(4)12-5-9(3)13(18)6-10(12)14(11)19/h5-8,18H,1-4H3,(H,16,20)
InChIKeyFJWYSWZNKXSZJA-UHFFFAOYSA-N
XLogP1.69
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide (CID 118460153) is 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide is Cc1cc2c(cc1O)c(=O)c(C(=O)NC(C)C)cn2C.
What is the InChIKey of 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide?
The InChIKey is FJWYSWZNKXSZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-8(2)16-15(20)11-7-17(4)12-5-9(3)13(18)6-10(12)14(11)19/h5-8,18H,1-4H3,(H,16,20).
What are the key properties of 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide?
6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 118460153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).