8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide

C17H19ClN2O2 — CID 91761826

IUPAC8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide
SMILESCCC(NC(=O)c1ccc2cccc(Cl)c2n1)C1CC(O)C1
InChIInChI=1S/C17H19ClN2O2/c1-2-14(11-8-12(21)9-11)20-17(22)15-7-6-10-4-3-5-13(18)16(10)19-15/h3-7,11-12,14,21H,2,8-9H2,1H3,(H,20,22)
InChIKeyKVVRJYGQTBUFSJ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.17
Rot. Bonds4

About 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide

8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide (PubChem CID 91761826) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide
PubChem CID91761826
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide
SMILESCCC(NC(=O)c1ccc2cccc(Cl)c2n1)C1CC(O)C1
InChIInChI=1S/C17H19ClN2O2/c1-2-14(11-8-12(21)9-11)20-17(22)15-7-6-10-4-3-5-13(18)16(10)19-15/h3-7,11-12,14,21H,2,8-9H2,1H3,(H,20,22)
InChIKeyKVVRJYGQTBUFSJ-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 99926856
6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 55069173
3-hydroxy-N-[1-(3-hydroxycyclobutyl)propyl]-2-methylbenzamide
CID 91791431
N-[1-(3-hydroxycyclobutyl)propyl]-2-pyridin-4-ylacetamide
CID 91781242
3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide
CID 91795638
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 97127947
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-8-fluoroquinoline-2-carboxamide
CID 70738649
N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 91779351
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91773530
8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
CID 74250935
3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 62406146

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide (CID 91761826) is 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide is CCC(NC(=O)c1ccc2cccc(Cl)c2n1)C1CC(O)C1.
What is the InChIKey of 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide?
The InChIKey is KVVRJYGQTBUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-14(11-8-12(21)9-11)20-17(22)15-7-6-10-4-3-5-13(18)16(10)19-15/h3-7,11-12,14,21H,2,8-9H2,1H3,(H,20,22).
What are the key properties of 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide?
8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[1-(3-hydroxycyclobutyl)propyl]quinoline-2-carboxamide is sourced from PubChem (CID 91761826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).