methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate

C18H14N2O2 — CID 136695301

IUPACmethyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(C)c3c4ccccc4nc3c2c1
InChIInChI=1S/C18H14N2O2/c1-10-7-15-13(8-11(9-19-15)18(21)22-2)17-16(10)12-5-3-4-6-14(12)20-17/h3-9,19H,1-2H3
InChIKeySNFNVVLNSBXTFV-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.96
Rot. Bonds1

About methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate

methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate (PubChem CID 136695301) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate
PubChem CID136695301
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Namemethyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(C)c3c4ccccc4nc3c2c1
InChIInChI=1S/C18H14N2O2/c1-10-7-15-13(8-11(9-19-15)18(21)22-2)17-16(10)12-5-3-4-6-14(12)20-17/h3-9,19H,1-2H3
InChIKeySNFNVVLNSBXTFV-UHFFFAOYSA-N
XLogP3.96
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate?
The IUPAC name of methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate (CID 136695301) is methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate?
The canonical SMILES for methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate is COC(=O)c1c[nH]c2cc(C)c3c4ccccc4nc3c2c1.
What is the InChIKey of methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate?
The InChIKey is SNFNVVLNSBXTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-10-7-15-13(8-11(9-19-15)18(21)22-2)17-16(10)12-5-3-4-6-14(12)20-17/h3-9,19H,1-2H3.
What are the key properties of methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate?
methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4H-pyrido[3,2-a]carbazole-2-carboxylate is sourced from PubChem (CID 136695301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).