3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide

C22H26N4O2 — CID 91762443

IUPAC3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide
SMILESCCc1nccn1CCC(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C22H26N4O2/c1-2-20-23-8-10-26(20)9-7-21(28)25-22(16-12-18(27)13-16)17-11-15-5-3-4-6-19(15)24-14-17/h3-6,8,10-11,14,16,18,22,27H,2,7,9,12-13H2,1H3,(H,25,28)
InChIKeyZUCLDQNZDALLSZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.01
Rot. Bonds7

About 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide

3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide (PubChem CID 91762443) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide
PubChem CID91762443
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide
SMILESCCc1nccn1CCC(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C22H26N4O2/c1-2-20-23-8-10-26(20)9-7-21(28)25-22(16-12-18(27)13-16)17-11-15-5-3-4-6-19(15)24-14-17/h3-6,8,10-11,14,16,18,22,27H,2,7,9,12-13H2,1H3,(H,25,28)
InChIKeyZUCLDQNZDALLSZ-UHFFFAOYSA-N
XLogP3.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
CID 91781261
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
CID 91765727
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91778980
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide
CID 91768467
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91768658
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
CID 91790371
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91796101
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
CID 91764754
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
CID 91782979
4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
CID 91787352
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
CID 91763890

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide (CID 91762443) is 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide is CCc1nccn1CCC(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide?
The InChIKey is ZUCLDQNZDALLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-20-23-8-10-26(20)9-7-21(28)25-22(16-12-18(27)13-16)17-11-15-5-3-4-6-19(15)24-14-17/h3-6,8,10-11,14,16,18,22,27H,2,7,9,12-13H2,1H3,(H,25,28).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide is sourced from PubChem (CID 91762443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).