N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide

C15H16N2O2 — CID 115668807

IUPACN-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cccc2ncccc12
InChIInChI=1S/C15H16N2O2/c18-14(17-10-15(19)7-3-8-15)12-4-1-6-13-11(12)5-2-9-16-13/h1-2,4-6,9,19H,3,7-8,10H2,(H,17,18)
InChIKeyZLXGVIFZRLEGOR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.88
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide

N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide (PubChem CID 115668807) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
PubChem CID115668807
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
SMILESO=C(NCC1(O)CCC1)c1cccc2ncccc12
InChIInChI=1S/C15H16N2O2/c18-14(17-10-15(19)7-3-8-15)12-4-1-6-13-11(12)5-2-9-16-13/h1-2,4-6,9,19H,3,7-8,10H2,(H,17,18)
InChIKeyZLXGVIFZRLEGOR-UHFFFAOYSA-N
XLogP1.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide
CID 107302188
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
CID 75420130
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-(difluoromethylsulfanyl)-N-[(1-hydroxycycloheptyl)methyl]pyridine-3-carboxamide
CID 111428733
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide (CID 115668807) is N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide is O=C(NCC1(O)CCC1)c1cccc2ncccc12.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide?
The InChIKey is ZLXGVIFZRLEGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14(17-10-15(19)7-3-8-15)12-4-1-6-13-11(12)5-2-9-16-13/h1-2,4-6,9,19H,3,7-8,10H2,(H,17,18).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 115668807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).