(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine

C17H15N3O — CID 76853169

IUPAC(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine
SMILESCOc1ccc2c(c1)[nH]c1c3ccncc3cc(CN)c21
InChIInChI=1S/C17H15N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,8,18H2,1H3
InChIKeyJIPWXCWXQYQCQS-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.34
Rot. Bonds2

About (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine

(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine (PubChem CID 76853169) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine.

Molecular Properties

Compound Name(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine
PubChem CID76853169
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine
SMILESCOc1ccc2c(c1)[nH]c1c3ccncc3cc(CN)c21
InChIInChI=1S/C17H15N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,8,18H2,1H3
InChIKeyJIPWXCWXQYQCQS-UHFFFAOYSA-N
XLogP3.34
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine?
The IUPAC name of (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine (CID 76853169) is (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine.
What is the SMILES notation for (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine?
The canonical SMILES for (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine is COc1ccc2c(c1)[nH]c1c3ccncc3cc(CN)c21.
What is the InChIKey of (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine?
The InChIKey is JIPWXCWXQYQCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-12-2-3-14-15(7-12)20-17-13-4-5-19-9-11(13)6-10(8-18)16(14)17/h2-7,9,20H,8,18H2,1H3.
What are the key properties of (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine?
(9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine has a molecular weight of 277.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methoxy-11H-pyrido[4,3-a]carbazol-6-yl)methanamine is sourced from PubChem (CID 76853169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).