1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole

C16H15N3O — CID 134849305

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(C4=NCCC4)nccc3c2c1
InChIInChI=1S/C16H15N3O/c1-20-10-4-5-13-12(9-10)11-6-8-18-16(15(11)19-13)14-3-2-7-17-14/h4-6,8-9,19H,2-3,7H2,1H3
InChIKeyDHQVFSBCMNFFFW-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.31
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole

1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole (PubChem CID 134849305) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole
PubChem CID134849305
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole
SMILESCOc1ccc2[nH]c3c(C4=NCCC4)nccc3c2c1
InChIInChI=1S/C16H15N3O/c1-20-10-4-5-13-12(9-10)11-6-8-18-16(15(11)19-13)14-3-2-7-17-14/h4-6,8-9,19H,2-3,7H2,1H3
InChIKeyDHQVFSBCMNFFFW-UHFFFAOYSA-N
XLogP3.31
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyrrol-5-yl)-7-methyl-9H-pyrido[3,4-b]indol-6-ol
CID 163422817
1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
CID 134134625
4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257255
1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-diazirin-2-ium-3-yl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
CID 24844806
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
9-methoxy-N,5-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
CID 70887380
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
1,9-dimethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 14476701
iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
CID 3047245
7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 170743594

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole (CID 134849305) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole is COc1ccc2[nH]c3c(C4=NCCC4)nccc3c2c1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole?
The InChIKey is DHQVFSBCMNFFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-10-4-5-13-12(9-10)11-6-8-18-16(15(11)19-13)14-3-2-7-17-14/h4-6,8-9,19H,2-3,7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole?
1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole has a molecular weight of 265.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-6-methoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 134849305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).