9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol

C19H16Cl2N4O — CID 136655240

IUPAC9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4ccc(Cl)nc4Cl)cccc3c(N)c2c1O
InChIInChI=1S/C19H16Cl2N4O/c1-2-8-25-9-13-15(19(25)26)16(22)12-5-3-4-10(17(12)23-13)11-6-7-14(20)24-18(11)21/h3-7,9,26H,2,8,22H2,1H3
InChIKeyUUVDHSSWQBJLGE-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.26
Rot. Bonds3

About 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol

9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136655240) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
PubChem CID136655240
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
SMILESCCCn1cc2nc3c(-c4ccc(Cl)nc4Cl)cccc3c(N)c2c1O
InChIInChI=1S/C19H16Cl2N4O/c1-2-8-25-9-13-15(19(25)26)16(22)12-5-3-4-10(17(12)23-13)11-6-7-14(20)24-18(11)21/h3-7,9,26H,2,8,22H2,1H3
InChIKeyUUVDHSSWQBJLGE-UHFFFAOYSA-N
XLogP5.26
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-amino-5-(2,5-difluorophenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136630982
9-amino-5-(2-fluoro-4-methoxyphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136648303
9-amino-5-(2-methoxy-5-methylphenyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136660033
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136647548
9-amino-5-(3,5-dimethylphenyl)-2-ethylpyrrolo[3,4-b]quinolin-1-ol
CID 136655135
9-amino-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrrolo[3,4-b]quinolin-1-ol
CID 136625690
9-amino-5-butyl-2-prop-2-enylpyrrolo[3,4-b]quinolin-1-ol
CID 135977782
9-amino-2-ethyl-6-fluoro-5-(2-fluorophenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136612296
9-amino-5-bromo-2-methylpyrrolo[3,4-b]quinolin-1-ol
CID 136644831
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649756

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol (CID 136655240) is 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is CCCn1cc2nc3c(-c4ccc(Cl)nc4Cl)cccc3c(N)c2c1O.
What is the InChIKey of 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is UUVDHSSWQBJLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-2-8-25-9-13-15(19(25)26)16(22)12-5-3-4-10(17(12)23-13)11-6-7-14(20)24-18(11)21/h3-7,9,26H,2,8,22H2,1H3.
What are the key properties of 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol?
9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 387.27 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2,6-dichloro-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136655240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).