N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide

C15H18N2O3 — CID 110489878

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)(C)CO)cnc12
InChIInChI=1S/C15H18N2O3/c1-15(2,9-18)17-14(19)11-7-10-5-4-6-12(20-3)13(10)16-8-11/h4-8,18H,9H2,1-3H3,(H,17,19)
InChIKeyGNTUXAYWZWEOHU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.74
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide (PubChem CID 110489878) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide
PubChem CID110489878
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)(C)CO)cnc12
InChIInChI=1S/C15H18N2O3/c1-15(2,9-18)17-14(19)11-7-10-5-4-6-12(20-3)13(10)16-8-11/h4-8,18H,9H2,1-3H3,(H,17,19)
InChIKeyGNTUXAYWZWEOHU-UHFFFAOYSA-N
XLogP1.74
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide (CID 110489878) is N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide is COc1cccc2cc(C(=O)NC(C)(C)CO)cnc12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide?
The InChIKey is GNTUXAYWZWEOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,9-18)17-14(19)11-7-10-5-4-6-12(20-3)13(10)16-8-11/h4-8,18H,9H2,1-3H3,(H,17,19).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-8-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 110489878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).