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

C17H22N2O — CID 79358473

IUPAC3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
SMILESCC1(C)C(NCc2cc3ccccc3[nH]c2=O)C1(C)C
InChIInChI=1S/C17H22N2O/c1-16(2)15(17(16,3)4)18-10-12-9-11-7-5-6-8-13(11)19-14(12)20/h5-9,15,18H,10H2,1-4H3,(H,19,20)
InChIKeyQCXZRPPJQRDTIA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.05
Rot. Bonds3

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

3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 79358473) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
PubChem CID79358473
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
SMILESCC1(C)C(NCc2cc3ccccc3[nH]c2=O)C1(C)C
InChIInChI=1S/C17H22N2O/c1-16(2)15(17(16,3)4)18-10-12-9-11-7-5-6-8-13(11)19-14(12)20/h5-9,15,18H,10H2,1-4H3,(H,19,20)
InChIKeyQCXZRPPJQRDTIA-UHFFFAOYSA-N
XLogP3.05
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-ethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 103680519
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
CID 103700259
3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 111440274
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-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
CID 107631320
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one (CID 79358473) is 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one is CC1(C)C(NCc2cc3ccccc3[nH]c2=O)C1(C)C.
What is the InChIKey of 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is QCXZRPPJQRDTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-16(2)15(17(16,3)4)18-10-12-9-11-7-5-6-8-13(11)19-14(12)20/h5-9,15,18H,10H2,1-4H3,(H,19,20).
What are the key properties of 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one?
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 79358473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).