6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one

C14H16N4O — CID 61311449

IUPAC6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESCn1cc(CN2C(=O)CCc3cc(N)ccc32)cn1
InChIInChI=1S/C14H16N4O/c1-17-8-10(7-16-17)9-18-13-4-3-12(15)6-11(13)2-5-14(18)19/h3-4,6-8H,2,5,9,15H2,1H3
InChIKeyNIFZVLNGIIIMEW-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.48
Rot. Bonds2

About 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one

6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 61311449) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID61311449
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
SMILESCn1cc(CN2C(=O)CCc3cc(N)ccc32)cn1
InChIInChI=1S/C14H16N4O/c1-17-8-10(7-16-17)9-18-13-4-3-12(15)6-11(13)2-5-14(18)19/h3-4,6-8H,2,5,9,15H2,1H3
InChIKeyNIFZVLNGIIIMEW-UHFFFAOYSA-N
XLogP1.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one (CID 61311449) is 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one is Cn1cc(CN2C(=O)CCc3cc(N)ccc32)cn1.
What is the InChIKey of 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is NIFZVLNGIIIMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-8-10(7-16-17)9-18-13-4-3-12(15)6-11(13)2-5-14(18)19/h3-4,6-8H,2,5,9,15H2,1H3.
What are the key properties of 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one?
6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 61311449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).