3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one

C17H13N3O — CID 43681327

IUPAC3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Nc1cccc2cnccc12
InChIInChI=1S/C17H13N3O/c21-17-16(13-5-1-2-6-15(13)20-17)19-14-7-3-4-11-10-18-9-8-12(11)14/h1-10,16,19H,(H,20,21)
InChIKeyQBYRLEDVRHSSLZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.34
Rot. Bonds2

About 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one

3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one (PubChem CID 43681327) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one
PubChem CID43681327
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Nc1cccc2cnccc12
InChIInChI=1S/C17H13N3O/c21-17-16(13-5-1-2-6-15(13)20-17)19-14-7-3-4-11-10-18-9-8-12(11)14/h1-10,16,19H,(H,20,21)
InChIKeyQBYRLEDVRHSSLZ-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indazol-7-ylamino)-1,3-dihydroindol-2-one
CID 43730911
5-fluoro-3-(naphthalen-1-ylamino)-1,3-dihydroindol-2-one
CID 43824875
3-(naphthalen-2-ylamino)-1,3-dihydroindol-2-one
CID 43680278
5-fluoro-3-(1H-indazol-7-ylamino)-1,3-dihydroindol-2-one
CID 43730925
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
CID 72724048
6-fluoro-3-(quinolin-8-ylamino)-1,3-dihydroindol-2-one
CID 43823553
3-(3-methoxy-2,4-dimethylanilino)-1,3-dihydroindol-2-one
CID 43739009
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
N-(thian-4-yl)isoquinolin-5-amine
CID 43681409
3-[(1-methylpyrazol-4-yl)amino]-1,3-dihydroindol-2-one
CID 43534975
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine
CID 43780496

Frequently Asked Questions

What is the IUPAC name of 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one (CID 43681327) is 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1Nc1cccc2cnccc12.
What is the InChIKey of 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is QBYRLEDVRHSSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17-16(13-5-1-2-6-15(13)20-17)19-14-7-3-4-11-10-18-9-8-12(11)14/h1-10,16,19H,(H,20,21).
What are the key properties of 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one?
3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 275.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(isoquinolin-5-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43681327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).