6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one

C17H13ClN4O — CID 122637226

IUPAC6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H13ClN4O/c18-13-2-4-15-11(6-13)5-12(17(23)21-15)8-19-14-3-1-10-9-20-22-16(10)7-14/h1-7,9,19H,8H2,(H,20,22)(H,21,23)
InChIKeyRNUMHONQTIYXJR-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.67
Rot. Bonds3

About 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one

6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one (PubChem CID 122637226) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
PubChem CID122637226
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H13ClN4O/c18-13-2-4-15-11(6-13)5-12(17(23)21-15)8-19-14-3-1-10-9-20-22-16(10)7-14/h1-7,9,19H,8H2,(H,20,22)(H,21,23)
InChIKeyRNUMHONQTIYXJR-UHFFFAOYSA-N
XLogP3.67
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
CID 122637212
6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637084
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 46958621
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
6-chloro-3-[[(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637234
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
CID 104854338

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one (CID 122637226) is 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2cn[nH]c2c1.
What is the InChIKey of 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one?
The InChIKey is RNUMHONQTIYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-13-2-4-15-11(6-13)5-12(17(23)21-15)8-19-14-3-1-10-9-20-22-16(10)7-14/h1-7,9,19H,8H2,(H,20,22)(H,21,23).
What are the key properties of 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one?
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one has a molecular weight of 324.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).