(5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

C17H15BrN2O2 — CID 32849945

IUPAC(5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3
InChIInChI=1S/C17H15BrN2O2/c1-10-2-3-13-11(8-10)12-9-20(7-6-14(12)19-13)17(21)15-4-5-16(18)22-15/h2-5,8,19H,6-7,9H2,1H3
InChIKeyVQZNUMXXEDJHIB-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.03
Rot. Bonds1

About (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

(5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (PubChem CID 32849945) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
PubChem CID32849945
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name(5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3
InChIInChI=1S/C17H15BrN2O2/c1-10-2-3-13-11(8-10)12-9-20(7-6-14(12)19-13)17(21)15-4-5-16(18)22-15/h2-5,8,19H,6-7,9H2,1H3
InChIKeyVQZNUMXXEDJHIB-UHFFFAOYSA-N
XLogP4.03
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(5-bromofuran-2-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 42535435
(4-bromophenyl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 32849584
[4-(4-ethylphenyl)phenyl]-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 141122674
2,3-dihydro-1,4-dioxin-5-yl-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 32850276
(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-nitrofuran-2-yl)methanone
CID 33189898
(3,4-dimethoxyphenyl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4839273
N-tert-butyl-5-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)furan-2-sulfonamide
CID 55931313
7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 32852711
(3-methylphenyl)-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 113089543
2-(3,4-dimethylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081838
2-(furan-2-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081820
methyl 2-(2-hydroxy-4-methylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 38497321

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (CID 32849945) is (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3.
What is the InChIKey of (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is VQZNUMXXEDJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-10-2-3-13-11(8-10)12-9-20(7-6-14(12)19-13)17(21)15-4-5-16(18)22-15/h2-5,8,19H,6-7,9H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
(5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 359.22 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 32849945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).