6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

C13H14N4O — CID 82293410

IUPAC6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCc1ncc(-c2ccc3c(c2)CCC(=O)N3)[nH]1
InChIInChI=1S/C13H14N4O/c14-6-12-15-7-11(16-12)9-1-3-10-8(5-9)2-4-13(18)17-10/h1,3,5,7H,2,4,6,14H2,(H,15,16)(H,17,18)
InChIKeyZDURYBLPDUDNKB-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.42
Rot. Bonds2

About 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82293410) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82293410
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNCc1ncc(-c2ccc3c(c2)CCC(=O)N3)[nH]1
InChIInChI=1S/C13H14N4O/c14-6-12-15-7-11(16-12)9-1-3-10-8(5-9)2-4-13(18)17-10/h1,3,5,7H,2,4,6,14H2,(H,15,16)(H,17,18)
InChIKeyZDURYBLPDUDNKB-UHFFFAOYSA-N
XLogP1.42
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(azetidin-3-yl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116877449
5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 82293405
5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 116880898
6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82482603
6-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 84610358
5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-3-carbonitrile
CID 116858528
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001469
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82483370
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one (CID 82293410) is 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is NCc1ncc(-c2ccc3c(c2)CCC(=O)N3)[nH]1.
What is the InChIKey of 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZDURYBLPDUDNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-6-12-15-7-11(16-12)9-1-3-10-8(5-9)2-4-13(18)17-10/h1,3,5,7H,2,4,6,14H2,(H,15,16)(H,17,18).
What are the key properties of 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82293410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).