6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one

C18H15ClN4O2 — CID 122637348

IUPAC6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
SMILESCN1C(=O)Cc2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)ncc21
InChIInChI=1S/C18H15ClN4O2/c1-23-15-9-21-16(6-11(15)7-17(23)24)20-8-12-4-10-5-13(19)2-3-14(10)22-18(12)25/h2-6,9H,7-8H2,1H3,(H,20,21)(H,22,25)
InChIKeyXEZFKNJICAIJOM-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.71
Rot. Bonds3

About 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one

6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 122637348) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID122637348
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
SMILESCN1C(=O)Cc2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)ncc21
InChIInChI=1S/C18H15ClN4O2/c1-23-15-9-21-16(6-11(15)7-17(23)24)20-8-12-4-10-5-13(19)2-3-14(10)22-18(12)25/h2-6,9H,7-8H2,1H3,(H,20,21)(H,22,25)
InChIKeyXEZFKNJICAIJOM-UHFFFAOYSA-N
XLogP2.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271
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
6-chloro-3-[[[4-[methylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 146240371
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
CID 118955448
6-chloro-3-[[(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637234
6-chloro-3-[[(7-ethyl-1H-indazol-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637084
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-[2-methylpropylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 145049135

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one (CID 122637348) is 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one is CN1C(=O)Cc2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)ncc21.
What is the InChIKey of 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is XEZFKNJICAIJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-23-15-9-21-16(6-11(15)7-17(23)24)20-8-12-4-10-5-13(19)2-3-14(10)22-18(12)25/h2-6,9H,7-8H2,1H3,(H,20,21)(H,22,25).
What are the key properties of 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one?
6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 354.80 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1-methyl-2-oxo-3H-pyrrolo[2,3-c]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).