N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide

C12H13N2O2P — CID 135294171

IUPACN-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
SMILESCON(C)C(=O)c1cc(P)nc2ccccc12
InChIInChI=1S/C12H13N2O2P/c1-14(16-2)12(15)9-7-11(17)13-10-6-4-3-5-8(9)10/h3-7H,17H2,1-2H3
InChIKeyJRWAOZYMGIOBTF-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.37
Rot. Bonds2

About N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide

N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide (PubChem CID 135294171) has the molecular formula C12H13N2O2P and a molecular weight of 248.22 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
PubChem CID135294171
Molecular FormulaC12H13N2O2P
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC NameN-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
SMILESCON(C)C(=O)c1cc(P)nc2ccccc12
InChIInChI=1S/C12H13N2O2P/c1-14(16-2)12(15)9-7-11(17)13-10-6-4-3-5-8(9)10/h3-7H,17H2,1-2H3
InChIKeyJRWAOZYMGIOBTF-UHFFFAOYSA-N
XLogP1.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
methoxyethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide;2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 158247376
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
4-chloro-N-methoxy-N-methylquinoline-3-carboxamide
CID 86709600
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
CID 158439697
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2-amino-N-ethyl-N-methylquinoline-4-carboxamide
CID 62154590
N-methoxymethanamine;N-methoxy-N-methyl-3-nitronaphthalene-1-carboxamide;3-nitronaphthalene-1-carboxylic acid;hydrochloride
CID 160854838
2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide
CID 126432024
2-(ethylamino)-N-(2-methoxyethyl)-N-methylquinoline-4-carboxamide
CID 62178126
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 166200011

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide (CID 135294171) is N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide is CON(C)C(=O)c1cc(P)nc2ccccc12.
What is the InChIKey of N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide?
The InChIKey is JRWAOZYMGIOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O2P/c1-14(16-2)12(15)9-7-11(17)13-10-6-4-3-5-8(9)10/h3-7H,17H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide?
N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide has a molecular weight of 248.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide is sourced from PubChem (CID 135294171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).