3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one

C14H18ClN3O — CID 146390611

IUPAC3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one
SMILESCC(C)(C)NNCc1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C14H18ClN3O/c1-14(2,3)18-16-8-10-6-9-7-11(15)4-5-12(9)17-13(10)19/h4-7,16,18H,8H2,1-3H3,(H,17,19)
InChIKeyNNBDFMKASBDUGI-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.57
Rot. Bonds3

About 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one

3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one (PubChem CID 146390611) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one
PubChem CID146390611
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one
SMILESCC(C)(C)NNCc1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C14H18ClN3O/c1-14(2,3)18-16-8-10-6-9-7-11(15)4-5-12(9)17-13(10)19/h4-7,16,18H,8H2,1-3H3,(H,17,19)
InChIKeyNNBDFMKASBDUGI-UHFFFAOYSA-N
XLogP2.57
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one?
The IUPAC name of 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one (CID 146390611) is 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one is CC(C)(C)NNCc1cc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one?
The InChIKey is NNBDFMKASBDUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-14(2,3)18-16-8-10-6-9-7-11(15)4-5-12(9)17-13(10)19/h4-7,16,18H,8H2,1-3H3,(H,17,19).
What are the key properties of 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one?
3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one has a molecular weight of 279.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylhydrazinyl)methyl]-6-chloro-1H-quinolin-2-one is sourced from PubChem (CID 146390611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).