methyl 2-formamidoquinoline-4-carboxylate

C12H10N2O3 — CID 172578124

IUPACmethyl 2-formamidoquinoline-4-carboxylate
SMILESCOC(=O)c1cc(NC=O)nc2ccccc12
InChIInChI=1S/C12H10N2O3/c1-17-12(16)9-6-11(13-7-15)14-10-5-3-2-4-8(9)10/h2-7H,1H3,(H,13,14,15)
InChIKeyYKMHJERRUGMPMV-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.59
Rot. Bonds3

About methyl 2-formamidoquinoline-4-carboxylate

methyl 2-formamidoquinoline-4-carboxylate (PubChem CID 172578124) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl 2-formamidoquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-formamidoquinoline-4-carboxylate
PubChem CID172578124
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namemethyl 2-formamidoquinoline-4-carboxylate
SMILESCOC(=O)c1cc(NC=O)nc2ccccc12
InChIInChI=1S/C12H10N2O3/c1-17-12(16)9-6-11(13-7-15)14-10-5-3-2-4-8(9)10/h2-7H,1H3,(H,13,14,15)
InChIKeyYKMHJERRUGMPMV-UHFFFAOYSA-N
XLogP1.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(Piperidin-1-yl)quinoline-4-carboxylic acid
CID 230593
2-(Morpholin-4-yl)quinoline-4-carboxylic acid
CID 230788
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid ethyl ester
CID 11197326
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid ethyl ester
CID 11209620
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid ethyl ester
CID 11221525
3-Methyl-2-piperazin-1-yl-quinoline-4-carboxylic acid ethyl ester
CID 11266542
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid ethyl ester
CID 11381434
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
Methyl 2-propylquinoline-4-carboxylate
CID 841798
Ethyl 3-[[[(2-methyl-4-quinolinyl)amino]carbonyl]amino]benzoate
CID 22745126

Frequently Asked Questions

What is the IUPAC name of methyl 2-formamidoquinoline-4-carboxylate?
The IUPAC name of methyl 2-formamidoquinoline-4-carboxylate (CID 172578124) is methyl 2-formamidoquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-formamidoquinoline-4-carboxylate?
The canonical SMILES for methyl 2-formamidoquinoline-4-carboxylate is COC(=O)c1cc(NC=O)nc2ccccc12.
What is the InChIKey of methyl 2-formamidoquinoline-4-carboxylate?
The InChIKey is YKMHJERRUGMPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-12(16)9-6-11(13-7-15)14-10-5-3-2-4-8(9)10/h2-7H,1H3,(H,13,14,15).
What are the key properties of methyl 2-formamidoquinoline-4-carboxylate?
methyl 2-formamidoquinoline-4-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamidoquinoline-4-carboxylate is sourced from PubChem (CID 172578124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).