N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide

C17H18N2O2 — CID 111445377

IUPACN-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2cccnc12)NCC1(O)CCC1
InChIInChI=1S/C17H18N2O2/c20-15(19-12-17(21)9-3-10-17)8-7-14-5-1-4-13-6-2-11-18-16(13)14/h1-2,4-8,11,21H,3,9-10,12H2,(H,19,20)
InChIKeyTXMFFRRWXNQCLJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.28
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide

N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 111445377) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID111445377
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(C=Cc1cccc2cccnc12)NCC1(O)CCC1
InChIInChI=1S/C17H18N2O2/c20-15(19-12-17(21)9-3-10-17)8-7-14-5-1-4-13-6-2-11-18-16(13)14/h1-2,4-8,11,21H,3,9-10,12H2,(H,19,20)
InChIKeyTXMFFRRWXNQCLJ-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 91942315
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
(E)-N-[(1-hydroxycyclobutyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 115643301
(E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide
CID 24624114
(E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide
CID 51113098
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-8-ylprop-2-enamide
CID 42937673
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 18152898
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
N-benzhydryl-3-quinolin-8-ylprop-2-enamide
CID 55503823
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 111520087

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide (CID 111445377) is N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide is O=C(C=Cc1cccc2cccnc12)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is TXMFFRRWXNQCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-15(19-12-17(21)9-3-10-17)8-7-14-5-1-4-13-6-2-11-18-16(13)14/h1-2,4-8,11,21H,3,9-10,12H2,(H,19,20).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide?
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 111445377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).