6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one

C19H17ClN4O — CID 122637084

IUPAC6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1c(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc2cn[nH]c12
InChIInChI=1S/C19H17ClN4O/c1-2-15-17(5-3-11-10-22-24-18(11)15)21-9-13-7-12-8-14(20)4-6-16(12)23-19(13)25/h3-8,10,21H,2,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyVPOYVPPLWWUPFJ-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.23
Rot. Bonds4

About 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 122637084) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID122637084
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
SMILESCCc1c(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc2cn[nH]c12
InChIInChI=1S/C19H17ClN4O/c1-2-15-17(5-3-11-10-22-24-18(11)15)21-9-13-7-12-8-14(20)4-6-16(12)23-19(13)25/h3-8,10,21H,2,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyVPOYVPPLWWUPFJ-UHFFFAOYSA-N
XLogP4.23
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
CID 118955448
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271
3-[(5-chloro-2-methoxyanilino)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 25319089
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
CID 122637449
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
6-chloro-3-[[[4-[methylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 146240371
7-ethyl-6-fluoro-1H-indazole
CID 130384228

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one (CID 122637084) is 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one is CCc1c(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc2cn[nH]c12.
What is the InChIKey of 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is VPOYVPPLWWUPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-2-15-17(5-3-11-10-22-24-18(11)15)21-9-13-7-12-8-14(20)4-6-16(12)23-19(13)25/h3-8,10,21H,2,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 352.83 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).