(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

C25H28N4O — CID 18656666

IUPAC(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCCCN(CCC)[C@H]1Cc2c[nH]c3ccc(-c4nc(-c5ccccc5)no4)c(c23)C1
InChIInChI=1S/C25H28N4O/c1-3-12-29(13-4-2)19-14-18-16-26-22-11-10-20(21(15-19)23(18)22)25-27-24(28-30-25)17-8-6-5-7-9-17/h5-11,16,19,26H,3-4,12-15H2,1-2H3/t19-/m0/s1
InChIKeyZLBWUSUKZPHBBR-IBGZPJMESA-N
MW400.53 g/mol
LogP5.47
Rot. Bonds7

About (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine

(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (PubChem CID 18656666) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.

Molecular Properties

Compound Name(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
PubChem CID18656666
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
SMILESCCCN(CCC)[C@H]1Cc2c[nH]c3ccc(-c4nc(-c5ccccc5)no4)c(c23)C1
InChIInChI=1S/C25H28N4O/c1-3-12-29(13-4-2)19-14-18-16-26-22-11-10-20(21(15-19)23(18)22)25-27-24(28-30-25)17-8-6-5-7-9-17/h5-11,16,19,26H,3-4,12-15H2,1-2H3/t19-/m0/s1
InChIKeyZLBWUSUKZPHBBR-IBGZPJMESA-N
XLogP5.47
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
8-(3-methyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10267605
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66215112
N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324384
5-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-phenyl-1,2,4-oxadiazole
CID 70235898
5-(2-iodophenyl)-3-[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 171851809

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The IUPAC name of (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine (CID 18656666) is (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine.
What is the SMILES notation for (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The canonical SMILES for (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is CCCN(CCC)[C@H]1Cc2c[nH]c3ccc(-c4nc(-c5ccccc5)no4)c(c23)C1.
What is the InChIKey of (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
The InChIKey is ZLBWUSUKZPHBBR-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N4O/c1-3-12-29(13-4-2)19-14-18-16-26-22-11-10-20(21(15-19)23(18)22)25-27-24(28-30-25)17-8-6-5-7-9-17/h5-11,16,19,26H,3-4,12-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine?
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine has a molecular weight of 400.53 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine is sourced from PubChem (CID 18656666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).