methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate

C19H17ClN4O4 — CID 71077473

IUPACmethyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(Cl)cc(CNC(=O)Nc3cccnc3)c2nc1OC
InChIInChI=1S/C19H17ClN4O4/c1-27-17-15(18(25)28-2)8-11-6-13(20)7-12(16(11)24-17)9-22-19(26)23-14-4-3-5-21-10-14/h3-8,10H,9H2,1-2H3,(H2,22,23,26)
InChIKeyMRYCZGJMWHGHMI-UHFFFAOYSA-N
MW400.82 g/mol
LogP3.40
Rot. Bonds5

About methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate

methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate (PubChem CID 71077473) has the molecular formula C19H17ClN4O4 and a molecular weight of 400.82 g/mol. Its IUPAC name is methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate
PubChem CID71077473
Molecular FormulaC19H17ClN4O4
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Namemethyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(Cl)cc(CNC(=O)Nc3cccnc3)c2nc1OC
InChIInChI=1S/C19H17ClN4O4/c1-27-17-15(18(25)28-2)8-11-6-13(20)7-12(16(11)24-17)9-22-19(26)23-14-4-3-5-21-10-14/h3-8,10H,9H2,1-2H3,(H2,22,23,26)
InChIKeyMRYCZGJMWHGHMI-UHFFFAOYSA-N
XLogP3.40
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate with MolForge

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Related Compounds

methyl 6-chloro-2-methoxy-8-[[(2-methoxybenzoyl)amino]methyl]quinoline-3-carboxylate
CID 71077628
6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077330
methyl 6-chloro-2-methoxy-8-[[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]methyl]quinoline-3-carboxylate
CID 71077755
methyl 6-chloro-8-[[[2-(4-fluoro-2-methylphenyl)acetyl]amino]methyl]-2-methoxyquinoline-3-carboxylate
CID 71077502
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 126792773
methyl 4-chloro-3-(pyridin-3-ylcarbamoylamino)benzoate
CID 110706425
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
methyl 4-chloro-2-methyl-3-(pyridin-3-ylmethylcarbamoylamino)benzoate
CID 154752929
1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea
CID 24528610
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 110782938

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate?
The IUPAC name of methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate (CID 71077473) is methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate?
The canonical SMILES for methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate is COC(=O)c1cc2cc(Cl)cc(CNC(=O)Nc3cccnc3)c2nc1OC.
What is the InChIKey of methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate?
The InChIKey is MRYCZGJMWHGHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4/c1-27-17-15(18(25)28-2)8-11-6-13(20)7-12(16(11)24-17)9-22-19(26)23-14-4-3-5-21-10-14/h3-8,10H,9H2,1-2H3,(H2,22,23,26).
What are the key properties of methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate?
methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate has a molecular weight of 400.82 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate is sourced from PubChem (CID 71077473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).