7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine

C13H18N2O — CID 105472893

IUPAC7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine
SMILESCOc1ccc2c(c1)CCC1CCC(N)N21
InChIInChI=1S/C13H18N2O/c1-16-11-5-6-12-9(8-11)2-3-10-4-7-13(14)15(10)12/h5-6,8,10,13H,2-4,7,14H2,1H3
InChIKeyKSYGADCKZXWCOQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.89
Rot. Bonds1

About 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine

7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine (PubChem CID 105472893) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine
PubChem CID105472893
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine
SMILESCOc1ccc2c(c1)CCC1CCC(N)N21
InChIInChI=1S/C13H18N2O/c1-16-11-5-6-12-9(8-11)2-3-10-4-7-13(14)15(10)12/h5-6,8,10,13H,2-4,7,14H2,1H3
InChIKeyKSYGADCKZXWCOQ-UHFFFAOYSA-N
XLogP1.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105476015
6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
CID 86072442
2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline
CID 40802818
1-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623666
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740546
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
1-O-ethyl 2-O-methyl 6-methoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylate
CID 19039847
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
tert-butyl (2S)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124681204
tert-butyl (2R)-2-(aminomethyl)-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124681203
(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine?
The IUPAC name of 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine (CID 105472893) is 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine.
What is the SMILES notation for 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine?
The canonical SMILES for 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine is COc1ccc2c(c1)CCC1CCC(N)N21.
What is the InChIKey of 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine?
The InChIKey is KSYGADCKZXWCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-11-5-6-12-9(8-11)2-3-10-4-7-13(14)15(10)12/h5-6,8,10,13H,2-4,7,14H2,1H3.
What are the key properties of 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine?
7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine is sourced from PubChem (CID 105472893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).