propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate

C15H14N2O2 — CID 10467488

IUPACpropan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H14N2O2/c1-9(2)19-15(18)13-7-11-10-5-3-4-6-12(10)17-14(11)8-16-13/h3-9,17H,1-2H3
InChIKeySJRSXYRJUXHUJY-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.28
Rot. Bonds2

About propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate

propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 10467488) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID10467488
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namepropan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C15H14N2O2/c1-9(2)19-15(18)13-7-11-10-5-3-4-6-12(10)17-14(11)8-16-13/h3-9,17H,1-2H3
InChIKeySJRSXYRJUXHUJY-UHFFFAOYSA-N
XLogP3.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 12957539
2,2,2-trifluoroethyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 52942145
1-(9H-pyrido[3,4-b]indol-3-yl)butan-1-one
CID 4713438
(2S)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 8015997
(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol
CID 129365033
methyl 4-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
CID 78302283
3-propan-2-yloxy-9H-pyrido[3,4-b]indole;hydrochloride
CID 77461260
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4964733
3-methyl-2-[2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoylamino]butanoic acid
CID 4839071
N-[1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4839218
methyl 3-phenyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 78593166
methyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6918825

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate (CID 10467488) is propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate is CC(C)OC(=O)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is SJRSXYRJUXHUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9(2)19-15(18)13-7-11-10-5-3-4-6-12(10)17-14(11)8-16-13/h3-9,17H,1-2H3.
What are the key properties of propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate?
propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 10467488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).