8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H19ClN4 — CID 59455036

IUPAC8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1cnccn1
InChIInChI=1S/C19H19ClN4/c1-13(17-10-21-6-7-22-17)11-24-18-4-3-14(20)9-15(18)16-12-23(2)8-5-19(16)24/h3-4,6-7,9-11H,5,8,12H2,1-2H3/b13-11+
InChIKeyPXAMHHZOWYJDLZ-ACCUITESSA-N
MW338.84 g/mol
LogP4.09
Rot. Bonds2

About 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 59455036) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID59455036
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1cnccn1
InChIInChI=1S/C19H19ClN4/c1-13(17-10-21-6-7-22-17)11-24-18-4-3-14(20)9-15(18)16-12-23(2)8-5-19(16)24/h3-4,6-7,9-11H,5,8,12H2,1-2H3/b13-11+
InChIKeyPXAMHHZOWYJDLZ-ACCUITESSA-N
XLogP4.09
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)prop-1-en-2-yl]-1,3-thiazole
CID 59454900
6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 67036387
8-chloro-2-methyl-5-[(E)-2-thiophen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59454994
2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46199734
8-chloro-2-methyl-5-[(E)-2-(3-methylsulfonylphenyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 71008291
9-chloro-6-[(Z)-2-(3,4-difluorophenyl)prop-1-enyl]-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 68561402
2,8-dimethyl-5-[(E)-2-(1-methylpyrazol-4-yl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 71007872
9-chloro-6-[(E)-2-(4-fluorophenyl)prop-1-enyl]-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 45375941
9-chloro-6-[(Z)-2-(3-fluorophenyl)prop-1-enyl]-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 59368405
6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 66911702
8-chloro-2-methyl-5-[(E)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[8-chloro-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-methylbutan-2-ol;2,8-dimethyl-5-[(E)-2-(6-methyl-3-pyridinyl)prop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-pyridin-3-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 157438431
8-chloro-2-prop-2-enyl-5-(2-pyridin-4-ylprop-1-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67309981

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 59455036) is 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is C/C(=C\n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1cnccn1.
What is the InChIKey of 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is PXAMHHZOWYJDLZ-ACCUITESSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13(17-10-21-6-7-22-17)11-24-18-4-3-14(20)9-15(18)16-12-23(2)8-5-19(16)24/h3-4,6-7,9-11H,5,8,12H2,1-2H3/b13-11+.
What are the key properties of 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 338.84 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-5-[(E)-2-pyrazin-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 59455036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).