N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine

C19H17N3O — CID 56680103

IUPACN-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
SMILESCOc1cccc(CNc2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H17N3O/c1-23-14-6-4-5-13(11-14)12-21-19-18-16(9-10-20-19)15-7-2-3-8-17(15)22-18/h2-11,22H,12H2,1H3,(H,20,21)
InChIKeyPMOQTYOVORIZDU-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.34
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine

N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine (PubChem CID 56680103) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
PubChem CID56680103
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
SMILESCOc1cccc(CNc2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H17N3O/c1-23-14-6-4-5-13(11-14)12-21-19-18-16(9-10-20-19)15-7-2-3-8-17(15)22-18/h2-11,22H,12H2,1H3,(H,20,21)
InChIKeyPMOQTYOVORIZDU-UHFFFAOYSA-N
XLogP4.34
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine (CID 56680103) is N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine is COc1cccc(CNc2nccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The InChIKey is PMOQTYOVORIZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-23-14-6-4-5-13(11-14)12-21-19-18-16(9-10-20-19)15-7-2-3-8-17(15)22-18/h2-11,22H,12H2,1H3,(H,20,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine is sourced from PubChem (CID 56680103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).