cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C21H27N3O — CID 171536907

IUPACcyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESC1CC1.CCCN1CC(C(N)=O)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C18H21N3O.C3H6/c1-2-6-21-10-12(18(19)22)7-14-13-4-3-5-15-17(13)11(9-20-15)8-16(14)21;1-2-3-1/h3-5,7,9,12,16,20H,2,6,8,10H2,1H3,(H2,19,22);1-3H2
InChIKeyIIXZSALIIQVURR-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.47
Rot. Bonds3

About cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 171536907) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Namecyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID171536907
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Namecyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESC1CC1.CCCN1CC(C(N)=O)C=C2c3cccc4[nH]cc(c34)CC21
InChIInChI=1S/C18H21N3O.C3H6/c1-2-6-21-10-12(18(19)22)7-14-13-4-3-5-15-17(13)11(9-20-15)8-16(14)21;1-2-3-1/h3-5,7,9,12,16,20H,2,6,8,10H2,1H3,(H2,19,22);1-3H2
InChIKeyIIXZSALIIQVURR-UHFFFAOYSA-N
XLogP3.47
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 171536907) is cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is C1CC1.CCCN1CC(C(N)=O)C=C2c3cccc4[nH]cc(c34)CC21.
What is the InChIKey of cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is IIXZSALIIQVURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C3H6/c1-2-6-21-10-12(18(19)22)7-14-13-4-3-5-15-17(13)11(9-20-15)8-16(14)21;1-2-3-1/h3-5,7,9,12,16,20H,2,6,8,10H2,1H3,(H2,19,22);1-3H2.
What are the key properties of cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;7-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 171536907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).