7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one

C18H17ClN4O2 — CID 70739458

IUPAC7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C18H17ClN4O2/c19-12-3-4-13-15(8-12)22-9-14(16(13)24)18(25)23-7-1-2-11(10-23)17-20-5-6-21-17/h3-6,8-9,11H,1-2,7,10H2,(H,20,21)(H,22,24)
InChIKeySWBSWCLDPSMNTD-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.92
Rot. Bonds2

About 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one

7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 70739458) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID70739458
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C18H17ClN4O2/c19-12-3-4-13-15(8-12)22-9-14(16(13)24)18(25)23-7-1-2-11(10-23)17-20-5-6-21-17/h3-6,8-9,11H,1-2,7,10H2,(H,20,21)(H,22,24)
InChIKeySWBSWCLDPSMNTD-UHFFFAOYSA-N
XLogP2.92
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
(6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95273869
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424
7-chloro-3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 155910672
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
7-chloro-3-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]-1H-quinolin-4-one
CID 163304992
[5-(2-chlorophenyl)furan-2-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70744841
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 74245727
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 70749547

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one (CID 70739458) is 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one is O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is SWBSWCLDPSMNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-12-3-4-13-15(8-12)22-9-14(16(13)24)18(25)23-7-1-2-11(10-23)17-20-5-6-21-17/h3-6,8-9,11H,1-2,7,10H2,(H,20,21)(H,22,24).
What are the key properties of 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 356.81 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 70739458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).