7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one

C13H15N5O — CID 79771091

IUPAC7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(Nc2cc3c(cc2N)NC(=O)CC3)cn1
InChIInChI=1S/C13H15N5O/c1-18-7-9(6-15-18)16-12-4-8-2-3-13(19)17-11(8)5-10(12)14/h4-7,16H,2-3,14H2,1H3,(H,17,19)
InChIKeyUYRGZBIGBHFIAW-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.63
Rot. Bonds2

About 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 79771091) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID79771091
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1cc(Nc2cc3c(cc2N)NC(=O)CC3)cn1
InChIInChI=1S/C13H15N5O/c1-18-7-9(6-15-18)16-12-4-8-2-3-13(19)17-11(8)5-10(12)14/h4-7,16H,2-3,14H2,1H3,(H,17,19)
InChIKeyUYRGZBIGBHFIAW-UHFFFAOYSA-N
XLogP1.63
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[(1-methylpyrazol-4-yl)amino]-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43543823
4-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]benzonitrile
CID 43449875
7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43805901
7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61466760
1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
CID 23212800
7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 83004557
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892
7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79861240
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 106369694
7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61475284

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 79771091) is 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one is Cn1cc(Nc2cc3c(cc2N)NC(=O)CC3)cn1.
What is the InChIKey of 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UYRGZBIGBHFIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18-7-9(6-15-18)16-12-4-8-2-3-13(19)17-11(8)5-10(12)14/h4-7,16H,2-3,14H2,1H3,(H,17,19).
What are the key properties of 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 257.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(1-methylpyrazol-4-yl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 79771091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).