3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole

C16H16N2O — CID 175965401

IUPAC3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nc(OCC2CC2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H16N2O/c1-10-16-13(12-4-2-3-5-14(12)18-16)8-15(17-10)19-9-11-6-7-11/h2-5,8,11,18H,6-7,9H2,1H3
InChIKeyKXFLOITYJNKJTJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.81
Rot. Bonds3

About 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole

3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 175965401) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID175965401
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nc(OCC2CC2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C16H16N2O/c1-10-16-13(12-4-2-3-5-14(12)18-16)8-15(17-10)19-9-11-6-7-11/h2-5,8,11,18H,6-7,9H2,1H3
InChIKeyKXFLOITYJNKJTJ-UHFFFAOYSA-N
XLogP3.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-9H-carbazole
CID 143672103
N-[[2-(cyclopropylmethoxy)quinolin-4-yl]methyl]-2-methylpropan-2-amine
CID 62291505
3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole
CID 162640414
5-methyl-11H-benzo[a]carbazole
CID 6454977
2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride
CID 172734792
4-(cyclopropylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103240776
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533
N,N-dimethyl-3-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methylideneamino]propan-1-amine
CID 46849433
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 11481274
2,4-dimethyl-6-(piperidin-4-ylmethoxy)pyrimidine
CID 62349222
3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde
CID 82394891

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole (CID 175965401) is 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole is Cc1nc(OCC2CC2)cc2c1[nH]c1ccccc12.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is KXFLOITYJNKJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-16-13(12-4-2-3-5-14(12)18-16)8-15(17-10)19-9-11-6-7-11/h2-5,8,11,18H,6-7,9H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole?
3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 252.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 175965401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).