N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide

C16H18N2O2 — CID 115643532

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCC2)c2ccccc2n1
InChIInChI=1S/C16H18N2O2/c1-11-9-13(12-5-2-3-6-14(12)18-11)15(19)17-10-16(20)7-4-8-16/h2-3,5-6,9,20H,4,7-8,10H2,1H3,(H,17,19)
InChIKeyGQEBNOZOIJCLPD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.19
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 115643532) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID115643532
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCC2)c2ccccc2n1
InChIInChI=1S/C16H18N2O2/c1-11-9-13(12-5-2-3-6-14(12)18-11)15(19)17-10-16(20)7-4-8-16/h2-3,5-6,9,20H,4,7-8,10H2,1H3,(H,17,19)
InChIKeyGQEBNOZOIJCLPD-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696594
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide (CID 115643532) is N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC2(O)CCC2)c2ccccc2n1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is GQEBNOZOIJCLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-13(12-5-2-3-6-14(12)18-11)15(19)17-10-16(20)7-4-8-16/h2-3,5-6,9,20H,4,7-8,10H2,1H3,(H,17,19).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.19, 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]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 115643532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).