(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone

C19H14N2O2 — CID 134495390

IUPAC(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)c1ccncc1n2C(=O)c1ccccc1
InChIInChI=1S/C19H14N2O2/c1-23-14-7-8-17-16(11-14)15-9-10-20-12-18(15)21(17)19(22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyPFDJOSDZVMPEPG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.89
Rot. Bonds2

About (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone

(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone (PubChem CID 134495390) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
PubChem CID134495390
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)c1ccncc1n2C(=O)c1ccccc1
InChIInChI=1S/C19H14N2O2/c1-23-14-7-8-17-16(11-14)15-9-10-20-12-18(15)21(17)19(22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyPFDJOSDZVMPEPG-UHFFFAOYSA-N
XLogP3.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(3-methylcarbazol-9-yl)methanone
CID 71534571
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
[(2E,3Z)-2,3-di(ethylidene)pyrrolo[2,3-c]pyridin-1-yl]-phenylmethanone
CID 139474935
6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole
CID 134505246
phenyl pyrido[3,4-b]indole-9-carboxylate
CID 86206232
[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
CID 21313355
ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
CID 142926296
copper bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate)
CID 11848850
bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
CID 11848852
dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);bis(pyridine)
CID 11983167
2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid;pyridine-3-carboxamide;dihydrate
CID 139049778
(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone
CID 155598914

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone?
The IUPAC name of (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone (CID 134495390) is (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone.
What is the SMILES notation for (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone?
The canonical SMILES for (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone is COc1ccc2c(c1)c1ccncc1n2C(=O)c1ccccc1.
What is the InChIKey of (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone?
The InChIKey is PFDJOSDZVMPEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-23-14-7-8-17-16(11-14)15-9-10-20-12-18(15)21(17)19(22)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone?
(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone has a molecular weight of 302.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone is sourced from PubChem (CID 134495390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).