(1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane

C20H18N2P+ — CID 12665115

IUPAC(1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane
SMILESCn1/c(=P/c2ccc3ccccc3[n+]2C)ccc2ccccc21
InChIInChI=1S/C20H18N2P/c1-21-17-9-5-3-7-15(17)11-13-19(21)23-20-14-12-16-8-4-6-10-18(16)22(20)2/h3-14H,1-2H3/q+1
InChIKeyMFMMBOGXGYYROX-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.96
Rot. Bonds1

About (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane

(1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane (PubChem CID 12665115) has the molecular formula C20H18N2P+ and a molecular weight of 317.35 g/mol. Its IUPAC name is (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane.

Molecular Properties

Compound Name(1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane
PubChem CID12665115
Molecular FormulaC20H18N2P+
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name(1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane
SMILESCn1/c(=P/c2ccc3ccccc3[n+]2C)ccc2ccccc21
InChIInChI=1S/C20H18N2P/c1-21-17-9-5-3-7-15(17)11-13-19(21)23-20-14-12-16-8-4-6-10-18(16)22(20)2/h3-14H,1-2H3/q+1
InChIKeyMFMMBOGXGYYROX-UHFFFAOYSA-N
XLogP3.96
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,1-dimethylquinolin-2-imine
CID 101198326
1-methyl-2-[2-[1-methyl-5-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]pyrrol-2-yl]ethenyl]quinolin-1-ium
CID 72508261
5,6-dimethylindolo[2,3-b]quinolin-5-ium
CID 2750305
2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride
CID 54602951
2-chloro-1,3-dimethylbenzimidazol-3-ium chloride
CID 11241401
1-methylquinolin-1-ium-2-carbaldehyde
CID 14454052
1,3-dimethyl-2-propan-2-ylbenzimidazol-3-ium
CID 87086317
(NE)-N-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methylidene]hydroxylamine chloride
CID 135568364
1,12-dimethylbenzimidazolo[2,1-a]isoquinolin-12-ium
CID 177102437
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
1,2,3-trimethylquinolin-1-ium chloride
CID 134987005
CID 175336040
CID 175336040

Frequently Asked Questions

What is the IUPAC name of (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane?
The IUPAC name of (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane (CID 12665115) is (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane.
What is the SMILES notation for (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane?
The canonical SMILES for (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane is Cn1/c(=P/c2ccc3ccccc3[n+]2C)ccc2ccccc21.
What is the InChIKey of (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane?
The InChIKey is MFMMBOGXGYYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2P/c1-21-17-9-5-3-7-15(17)11-13-19(21)23-20-14-12-16-8-4-6-10-18(16)22(20)2/h3-14H,1-2H3/q+1.
What are the key properties of (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane?
(1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane has a molecular weight of 317.35 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylquinolin-1-ium-2-yl)-(1-methylquinolin-2-ylidene)phosphane is sourced from PubChem (CID 12665115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).