9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol

C18H21N3O — CID 135977782

IUPAC9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol
SMILESC=CCn1cc2nc3c(CCCC)cccc3c(N)c2c1O
InChIInChI=1S/C18H21N3O/c1-3-5-7-12-8-6-9-13-16(19)15-14(20-17(12)13)11-21(10-4-2)18(15)22/h4,6,8-9,11,22H,2-3,5,7,10,19H2,1H3
InChIKeyMBSDKXMWDIGEEA-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.01
Rot. Bonds5

About 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol

9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 135977782) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID135977782
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol
SMILESC=CCn1cc2nc3c(CCCC)cccc3c(N)c2c1O
InChIInChI=1S/C18H21N3O/c1-3-5-7-12-8-6-9-13-16(19)15-14(20-17(12)13)11-21(10-4-2)18(15)22/h4,6,8-9,11,22H,2-3,5,7,10,19H2,1H3
InChIKeyMBSDKXMWDIGEEA-UHFFFAOYSA-N
XLogP4.01
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol
CID 136644831
9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136648303
2-butyl-6-octylaniline
CID 154074002
9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136612296
1-butyl-2-prop-2-enylbenzene
CID 18786435
3-butyl-2-ethenylphenol
CID 23312031
3-hexadecylbenzene-1,2-diamine
CID 21486063
3-heptylbenzene-1,2-diamine
CID 54294278
2-hexadecylnaphthalen-1-amine
CID 57354886
1-butylnaphthalene;ethane
CID 142087052
9-amino-5-bromo-2-[1-(1,3-dioxol-4-yl)-2-phenylethyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136596591

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol (CID 135977782) is 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol is C=CCn1cc2nc3c(CCCC)cccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is MBSDKXMWDIGEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-5-7-12-8-6-9-13-16(19)15-14(20-17(12)13)11-21(10-4-2)18(15)22/h4,6,8-9,11,22H,2-3,5,7,10,19H2,1H3.
What are the key properties of 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 295.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 135977782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).