3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one

C14H14N4O — CID 64547030

IUPAC3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCc1ncc[nH]1
InChIInChI=1S/C14H14N4O/c19-14-11(8-15-9-13-16-5-6-17-13)7-10-3-1-2-4-12(10)18-14/h1-7,15H,8-9H2,(H,16,17)(H,18,19)
InChIKeyCVKRGQKQPMNJFZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.54
Rot. Bonds4

About 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one

3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one (PubChem CID 64547030) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
PubChem CID64547030
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCc1ncc[nH]1
InChIInChI=1S/C14H14N4O/c19-14-11(8-15-9-13-16-5-6-17-13)7-10-3-1-2-4-12(10)18-14/h1-7,15H,8-9H2,(H,16,17)(H,18,19)
InChIKeyCVKRGQKQPMNJFZ-UHFFFAOYSA-N
XLogP1.54
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one
CID 63280022
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
1-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)propan-2-one
CID 70390739
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
CID 63829701
3-[(pent-4-ynylamino)methyl]-1H-quinolin-2-one
CID 113243576
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647
3-[(2-methylsulfanylpropylamino)methyl]-1H-quinolin-2-one
CID 115757730
3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one
CID 155952053

Frequently Asked Questions

What is the IUPAC name of 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one (CID 64547030) is 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNCc1ncc[nH]1.
What is the InChIKey of 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one?
The InChIKey is CVKRGQKQPMNJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-14-11(8-15-9-13-16-5-6-17-13)7-10-3-1-2-4-12(10)18-14/h1-7,15H,8-9H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one?
3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 64547030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).