3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide

C19H22N4O2 — CID 128543542

IUPAC3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CC(NC(=O)C3CC3)C2)c2ccccc2n1
InChIInChI=1S/C19H22N4O2/c1-2-13-9-17(15-5-3-4-6-16(15)20-13)22-19(25)23-10-14(11-23)21-18(24)12-7-8-12/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H,21,24)(H,20,22,25)
InChIKeyYQKMYTOPXNMFIX-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.54
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide

3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide (PubChem CID 128543542) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide
PubChem CID128543542
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CC(NC(=O)C3CC3)C2)c2ccccc2n1
InChIInChI=1S/C19H22N4O2/c1-2-13-9-17(15-5-3-4-6-16(15)20-13)22-19(25)23-10-14(11-23)21-18(24)12-7-8-12/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H,21,24)(H,20,22,25)
InChIKeyYQKMYTOPXNMFIX-UHFFFAOYSA-N
XLogP2.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
CID 167767065
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 75521076
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 122143050
tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
CID 133400609
2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133402118
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414
N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
N-(2-ethylquinolin-4-yl)-4-methyl-2-oxopiperidine-4-carboxamide
CID 136570287
2-ethyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133402276

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide (CID 128543542) is 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide is CCc1cc(NC(=O)N2CC(NC(=O)C3CC3)C2)c2ccccc2n1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide?
The InChIKey is YQKMYTOPXNMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-13-9-17(15-5-3-4-6-16(15)20-13)22-19(25)23-10-14(11-23)21-18(24)12-7-8-12/h3-6,9,12,14H,2,7-8,10-11H2,1H3,(H,21,24)(H,20,22,25).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide?
3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide is sourced from PubChem (CID 128543542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).