4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide

C18H27N3O — CID 19370400

IUPAC4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
SMILESCCCN(CCC)C1Cc2c(C(N)=O)ccc3c2C(CN3)C1
InChIInChI=1S/C18H27N3O/c1-3-7-21(8-4-2)13-9-12-11-20-16-6-5-14(18(19)22)15(10-13)17(12)16/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H2,19,22)
InChIKeyCLUUDXRMZOVVRW-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.73
Rot. Bonds6

About 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide

4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide (PubChem CID 19370400) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide.

Molecular Properties

Compound Name4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
PubChem CID19370400
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
SMILESCCCN(CCC)C1Cc2c(C(N)=O)ccc3c2C(CN3)C1
InChIInChI=1S/C18H27N3O/c1-3-7-21(8-4-2)13-9-12-11-20-16-6-5-14(18(19)22)15(10-13)17(12)16/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H2,19,22)
InChIKeyCLUUDXRMZOVVRW-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2aR,4R)-4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]ethanone
CID 18652839
1-[4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19096260
4-(dipropylamino)-N,N-dimethyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide
CID 19370393
6-(1,3-oxazol-2-yl)-N,N-dipropyl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19069120
(2aS,4R)-N,N-dipropyl-6-pyrazin-2-yl-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 70341667
N,N-dipropyl-6-(1,3-thiazol-2-yl)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-amine
CID 19956170
2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide
CID 66215739
[(2aR,4R)-4-(dipropylamino)-6-methoxy-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]-phenylmethanone
CID 15712475
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide?
The IUPAC name of 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide (CID 19370400) is 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide.
What is the SMILES notation for 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide?
The canonical SMILES for 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide is CCCN(CCC)C1Cc2c(C(N)=O)ccc3c2C(CN3)C1.
What is the InChIKey of 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide?
The InChIKey is CLUUDXRMZOVVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-7-21(8-4-2)13-9-12-11-20-16-6-5-14(18(19)22)15(10-13)17(12)16/h5-6,12-13,20H,3-4,7-11H2,1-2H3,(H2,19,22).
What are the key properties of 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide?
4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-1,2,2a,3,4,5-hexahydrobenzo[cd]indole-6-carboxamide is sourced from PubChem (CID 19370400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).