N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide

C19H26N2O2 — CID 123132663

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(CO)C(C)C)c2ccccc2n1
InChIInChI=1S/C19H26N2O2/c1-12(2)9-14-10-16(15-7-5-6-8-17(15)20-14)19(23)21-18(11-22)13(3)4/h5-8,10,12-13,18,22H,9,11H2,1-4H3,(H,21,23)
InChIKeyMAVZNMDSEBGBPB-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.18
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 123132663) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID123132663
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(CO)C(C)C)c2ccccc2n1
InChIInChI=1S/C19H26N2O2/c1-12(2)9-14-10-16(15-7-5-6-8-17(15)20-14)19(23)21-18(11-22)13(3)4/h5-8,10,12-13,18,22H,9,11H2,1-4H3,(H,21,23)
InChIKeyMAVZNMDSEBGBPB-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)quinoline-4-carbohydrazide
CID 4167752
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 163088809
N-(2,4-dimethylphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 765637
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide
CID 65053035
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 124861697
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 91639956
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
2-(2-methylpropyl)-4-propan-2-ylquinoline
CID 175426775
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide (CID 123132663) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide is CC(C)Cc1cc(C(=O)NC(CO)C(C)C)c2ccccc2n1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is MAVZNMDSEBGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12(2)9-14-10-16(15-7-5-6-8-17(15)20-14)19(23)21-18(11-22)13(3)4/h5-8,10,12-13,18,22H,9,11H2,1-4H3,(H,21,23).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 123132663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).