3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one

C15H18N2O — CID 103680519

IUPAC3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
SMILESCCC1CC1NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O/c1-2-10-8-14(10)16-9-12-7-11-5-3-4-6-13(11)17-15(12)18/h3-7,10,14,16H,2,8-9H2,1H3,(H,17,18)
InChIKeyZMNUHABNZHKPRH-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.42
Rot. Bonds4

About 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one

3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 103680519) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
PubChem CID103680519
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
SMILESCCC1CC1NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O/c1-2-10-8-14(10)16-9-12-7-11-5-3-4-6-13(11)17-15(12)18/h3-7,10,14,16H,2,8-9H2,1H3,(H,17,18)
InChIKeyZMNUHABNZHKPRH-UHFFFAOYSA-N
XLogP2.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 79358473
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
CID 103700259
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
CID 107631320
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[(2-bromo-5-methylanilino)methyl]-1H-quinolin-2-one
CID 82745470
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 104599995

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one (CID 103680519) is 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one is CCC1CC1NCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is ZMNUHABNZHKPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-10-8-14(10)16-9-12-7-11-5-3-4-6-13(11)17-15(12)18/h3-7,10,14,16H,2,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one?
3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 103680519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).