(3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone

C19H14N2O — CID 51351555

IUPAC(3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESCc1cccc(C(=O)c2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H14N2O/c1-12-5-4-6-13(11-12)19(22)18-17-15(9-10-20-18)14-7-2-3-8-16(14)21-17/h2-11,21H,1H3
InChIKeyKPSUVOLGQUFPHH-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.26
Rot. Bonds2

About (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone

(3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (PubChem CID 51351555) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
PubChem CID51351555
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name(3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
SMILESCc1cccc(C(=O)c2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H14N2O/c1-12-5-4-6-13(11-12)19(22)18-17-15(9-10-20-18)14-7-2-3-8-16(14)21-17/h2-11,21H,1H3
InChIKeyKPSUVOLGQUFPHH-UHFFFAOYSA-N
XLogP4.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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FG-7142
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3-Acetylindole
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Tryptamide
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Indole, 3-(dimethylaminoacetyl)-
CID 34863
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Fascaplysin
CID 73293
Calothrixin B
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Calothrixin A
CID 9926867

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The IUPAC name of (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (CID 51351555) is (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone is Cc1cccc(C(=O)c2nccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
The InChIKey is KPSUVOLGQUFPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-12-5-4-6-13(11-12)19(22)18-17-15(9-10-20-18)14-7-2-3-8-16(14)21-17/h2-11,21H,1H3.
What are the key properties of (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone?
(3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone is sourced from PubChem (CID 51351555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).