6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H19N3O — CID 175944098

IUPAC6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESC=Cc1ccc2c(c1)CCN(C(N)=O)C2c1c[nH]c2ccccc12
InChIInChI=1S/C20H19N3O/c1-2-13-7-8-15-14(11-13)9-10-23(20(21)24)19(15)17-12-22-18-6-4-3-5-16(17)18/h2-8,11-12,19,22H,1,9-10H2,(H2,21,24)
InChIKeyBFBDSEYICFAYSY-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.84
Rot. Bonds2

About 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 175944098) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID175944098
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESC=Cc1ccc2c(c1)CCN(C(N)=O)C2c1c[nH]c2ccccc12
InChIInChI=1S/C20H19N3O/c1-2-13-7-8-15-14(11-13)9-10-23(20(21)24)19(15)17-12-22-18-6-4-3-5-16(17)18/h2-8,11-12,19,22H,1,9-10H2,(H2,21,24)
InChIKeyBFBDSEYICFAYSY-UHFFFAOYSA-N
XLogP3.84
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175944104
1-(1H-indol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175472959
1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175473015
5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 155703888
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 5181055
methyl 3-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1H-indole-6-carboxylate
CID 138974121
[1-(1H-indol-3-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-pyridin-4-ylmethanone
CID 141136735
(1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 155395762
(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one
CID 101487875
(1S)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 134294091
(1R)-2-[(3-fluorophenyl)methylsulfonyl]-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline
CID 25258653
1-(1H-indol-3-yl)-2-[(3-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 162399611

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 175944098) is 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is C=Cc1ccc2c(c1)CCN(C(N)=O)C2c1c[nH]c2ccccc12.
What is the InChIKey of 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is BFBDSEYICFAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-13-7-8-15-14(11-13)9-10-23(20(21)24)19(15)17-12-22-18-6-4-3-5-16(17)18/h2-8,11-12,19,22H,1,9-10H2,(H2,21,24).
What are the key properties of 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 175944098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).