N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide

C17H22N2O3 — CID 111697647

IUPACN-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
SMILESCC(C)COCC(O)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H22N2O3/c1-12(2)10-22-11-13(20)9-19-17(21)15-7-8-18-16-6-4-3-5-14(15)16/h3-8,12-13,20H,9-11H2,1-2H3,(H,19,21)
InChIKeyMORJPXLWVCAVAD-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.00
Rot. Bonds7

About N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide

N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide (PubChem CID 111697647) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
PubChem CID111697647
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
SMILESCC(C)COCC(O)CNC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H22N2O3/c1-12(2)10-22-11-13(20)9-19-17(21)15-7-8-18-16-6-4-3-5-14(15)16/h3-8,12-13,20H,9-11H2,1-2H3,(H,19,21)
InChIKeyMORJPXLWVCAVAD-UHFFFAOYSA-N
XLogP2.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111697774
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
3-methoxy-4-(quinoline-4-carbonylamino)butanoic acid
CID 103152989
N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111697659
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide (CID 111697647) is N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide is CC(C)COCC(O)CNC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide?
The InChIKey is MORJPXLWVCAVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(2)10-22-11-13(20)9-19-17(21)15-7-8-18-16-6-4-3-5-14(15)16/h3-8,12-13,20H,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide?
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 111697647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).