9-(methoxymethyl)-2-methylpyrido[2,3-b]indole

C14H14N2O — CID 135086735

IUPAC9-(methoxymethyl)-2-methylpyrido[2,3-b]indole
SMILESCOCn1c2ccccc2c2ccc(C)nc21
InChIInChI=1S/C14H14N2O/c1-10-7-8-12-11-5-3-4-6-13(11)16(9-17-2)14(12)15-10/h3-8H,9H2,1-2H3
InChIKeyORSIRQNCNCNQRJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.10
Rot. Bonds2

About 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole

9-(methoxymethyl)-2-methylpyrido[2,3-b]indole (PubChem CID 135086735) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(methoxymethyl)-2-methylpyrido[2,3-b]indole
PubChem CID135086735
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name9-(methoxymethyl)-2-methylpyrido[2,3-b]indole
SMILESCOCn1c2ccccc2c2ccc(C)nc21
InChIInChI=1S/C14H14N2O/c1-10-7-8-12-11-5-3-4-6-13(11)16(9-17-2)14(12)15-10/h3-8H,9H2,1-2H3
InChIKeyORSIRQNCNCNQRJ-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole
CID 140577781
ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 11001006
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one
CID 176916120
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
CID 70015423
2-amino-5-(methoxymethyl)phenanthridin-6-one
CID 82371155
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
2-iodo-1-(methoxymethyl)indole
CID 76846488
(2S)-2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]-2-[4-[(2-methylpyrido[2,3-b]indol-9-yl)methyl]phenyl]acetamide
CID 10279530
[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid
CID 156529117

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole?
The IUPAC name of 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole (CID 135086735) is 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole.
What is the SMILES notation for 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole?
The canonical SMILES for 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole is COCn1c2ccccc2c2ccc(C)nc21.
What is the InChIKey of 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole?
The InChIKey is ORSIRQNCNCNQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-7-8-12-11-5-3-4-6-13(11)16(9-17-2)14(12)15-10/h3-8H,9H2,1-2H3.
What are the key properties of 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole?
9-(methoxymethyl)-2-methylpyrido[2,3-b]indole has a molecular weight of 226.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-2-methylpyrido[2,3-b]indole is sourced from PubChem (CID 135086735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).