7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole

C20H18N2O — CID 162706982

IUPAC7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESCOc1ccc2c3c([nH]c2c1)C(/C=C\c1ccccc1)=NCC3
InChIInChI=1S/C20H18N2O/c1-23-15-8-9-16-17-11-12-21-18(20(17)22-19(16)13-15)10-7-14-5-3-2-4-6-14/h2-10,13,22H,11-12H2,1H3/b10-7-
InChIKeySQONYKGVIXPMMF-YFHOEESVSA-N
MW302.38 g/mol
LogP4.24
Rot. Bonds3

About 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole

7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole (PubChem CID 162706982) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
PubChem CID162706982
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
SMILESCOc1ccc2c3c([nH]c2c1)C(/C=C\c1ccccc1)=NCC3
InChIInChI=1S/C20H18N2O/c1-23-15-8-9-16-17-11-12-21-18(20(17)22-19(16)13-15)10-7-14-5-3-2-4-6-14/h2-10,13,22H,11-12H2,1H3/b10-7-
InChIKeySQONYKGVIXPMMF-YFHOEESVSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.24
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

2-methoxy-6-[(Z)-2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]phenol
CID 166963826
4-iodo-2-[(E)-2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethenyl]aniline
CID 170657113
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 155780424
(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
CID 137258618
2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetic acid
CID 137177310
benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)
CID 158965487
5-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pentan-1-ol
CID 170981972
1-[2-[2-[(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]phenyl]ethyl]-7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 163447197
4-[1,3-bis(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]benzaldehyde
CID 162706967
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(4-methoxy-3-phenoxyphenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 166963842
1-[2-(4-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706966
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
CID 135534458

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole (CID 162706982) is 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole is COc1ccc2c3c([nH]c2c1)C(/C=C\c1ccccc1)=NCC3.
What is the InChIKey of 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole?
The InChIKey is SQONYKGVIXPMMF-YFHOEESVSA-N. The full InChI is InChI=1S/C20H18N2O/c1-23-15-8-9-16-17-11-12-21-18(20(17)22-19(16)13-15)10-7-14-5-3-2-4-6-14/h2-10,13,22H,11-12H2,1H3/b10-7-.
What are the key properties of 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole?
7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole has a molecular weight of 302.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole is sourced from PubChem (CID 162706982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).