(E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide

C18H19ClN2O2 — CID 111333114

IUPAC(E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCC1(O)CCCC1
InChIInChI=1S/C18H19ClN2O2/c19-14-5-3-13-4-6-15(21-16(13)11-14)7-8-17(22)20-12-18(23)9-1-2-10-18/h3-8,11,23H,1-2,9-10,12H2,(H,20,22)/b8-7+
InChIKeyUMTRYBYGNJVLDY-BQYQJAHWSA-N
MW330.81 g/mol
LogP3.32
Rot. Bonds4

About (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide

(E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide (PubChem CID 111333114) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
PubChem CID111333114
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name(E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCC1(O)CCCC1
InChIInChI=1S/C18H19ClN2O2/c19-14-5-3-13-4-6-15(21-16(13)11-14)7-8-17(22)20-12-18(23)9-1-2-10-18/h3-8,11,23H,1-2,9-10,12H2,(H,20,22)/b8-7+
InChIKeyUMTRYBYGNJVLDY-BQYQJAHWSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.32
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

(E)-3-(7-chloroquinolin-2-yl)-N-methylprop-2-enamide
CID 110490314
3-(3-chlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77021946
3-(3,4-dichlorophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022002
3-(3-chloro-4-methylphenyl)-N-[(1-hydroxycyclohexyl)methyl]prop-2-enamide
CID 77054081
N-[(1-hydroxycycloheptyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 77056779
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111331161
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
(E)-3-(7-chloroquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 35559066
3-(4-chlorophenyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]prop-2-enamide
CID 77056877
3-(3-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77022338
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide (CID 111333114) is (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide is O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCC1(O)CCCC1.
What is the InChIKey of (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
The InChIKey is UMTRYBYGNJVLDY-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-5-3-13-4-6-15(21-16(13)11-14)7-8-17(22)20-12-18(23)9-1-2-10-18/h3-8,11,23H,1-2,9-10,12H2,(H,20,22)/b8-7+.
What are the key properties of (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide?
(E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide has a molecular weight of 330.81 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-chloroquinolin-2-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 111333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).