(6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C19H25N3O — CID 67875584

IUPAC(6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCCC1(C(N)=O)CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C19H25N3O/c1-2-3-7-19(18(20)23)9-14-13-5-4-6-15-17(13)12(10-21-15)8-16(14)22-11-19/h4-6,10,14,16,21-22H,2-3,7-9,11H2,1H3,(H2,20,23)/t14-,16-,19?/m1/s1
InChIKeyJITRLUUWVKYAOI-YVEJMYDXSA-N
MW311.43 g/mol
LogP2.83
Rot. Bonds4

About (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 67875584) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID67875584
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCCCCC1(C(N)=O)CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1
InChIInChI=1S/C19H25N3O/c1-2-3-7-19(18(20)23)9-14-13-5-4-6-15-17(13)12(10-21-15)8-16(14)22-11-19/h4-6,10,14,16,21-22H,2-3,7-9,11H2,1H3,(H2,20,23)/t14-,16-,19?/m1/s1
InChIKeyJITRLUUWVKYAOI-YVEJMYDXSA-N
XLogP2.83
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(6aR,10aR)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 57273509
ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 70584794
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
CID 54536481
(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 15780345
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine
CID 57294554
(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline;ethane-1,2-diamine
CID 175449167
[(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]methanamine
CID 70167957
(6aR,10aR)-N-(3-aminopropyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 151097344
methyl (6aR,9S)-5-ethenyl-9-propyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
CID 56998752
(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 54146614
CID 67851799
CID 67851799
(4R)-5-butyl-4-ethyl-1,3,4,5-tetrahydrobenzo[cd]indole
CID 71016251

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 67875584) is (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CCCCC1(C(N)=O)CN[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2C1.
What is the InChIKey of (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is JITRLUUWVKYAOI-YVEJMYDXSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-3-7-19(18(20)23)9-14-13-5-4-6-15-17(13)12(10-21-15)8-16(14)22-11-19/h4-6,10,14,16,21-22H,2-3,7-9,11H2,1H3,(H2,20,23)/t14-,16-,19?/m1/s1.
What are the key properties of (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-9-butyl-6,6a,7,8,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 67875584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).