6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate

C22H19ClN2O5 — CID 135667271

IUPAC6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate
SMILESCc1ccc(-c2c/c(=N\c3ccc[nH+]c3)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H18N2O.ClHO4/c1-15-5-8-17(9-6-15)22-13-20(24-18-4-3-11-23-14-18)19-12-16(2)7-10-21(19)25-22;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)/b24-20+;
InChIKeyKQLWATGEKZMCAS-UUTNPJQJSA-N
MW426.86 g/mol
LogP0.01
Rot. Bonds2

About 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate

6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate (PubChem CID 135667271) has the molecular formula C22H19ClN2O5 and a molecular weight of 426.86 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate
PubChem CID135667271
Molecular FormulaC22H19ClN2O5
Molecular Weight426.86 g/mol
Exact Mass426.10
IUPAC Name6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate
SMILESCc1ccc(-c2c/c(=N\c3ccc[nH+]c3)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H18N2O.ClHO4/c1-15-5-8-17(9-6-15)22-13-20(24-18-4-3-11-23-14-18)19-12-16(2)7-10-21(19)25-22;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)/b24-20+;
InChIKeyKQLWATGEKZMCAS-UUTNPJQJSA-N
XLogP0.01
TPSA131.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methylchromen-4-imine
CID 2239413
7,19-bis(4-methylphenyl)-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410888
1-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]pyrrolidin-1-ium perchlorate
CID 20998154
4-[6-chloro-4-(3,4-dimethylphenyl)iminochromen-2-yl]phenol
CID 171976908
3-[(6-chloro-2-phenylchromen-4-ylidene)amino]phenol
CID 733538
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 5146613
2-[(E)-[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 20998170
[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998139
[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate
CID 20998172
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate (CID 135667271) is 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate is Cc1ccc(-c2c/c(=N\c3ccc[nH+]c3)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate?
The InChIKey is KQLWATGEKZMCAS-UUTNPJQJSA-N. The full InChI is InChI=1S/C22H18N2O.ClHO4/c1-15-5-8-17(9-6-15)22-13-20(24-18-4-3-11-23-14-18)19-12-16(2)7-10-21(19)25-22;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)/b24-20+;.
What are the key properties of 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate?
6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate has a molecular weight of 426.86 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-N-pyridin-1-ium-3-ylchromen-4-imine perchlorate is sourced from PubChem (CID 135667271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).