9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol

C22H23N5O3 — CID 136648025

IUPAC9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ncc(-c2cccc3c(N)c4c(O)n(C5CCCC5)cc4nc23)c(OC)n1
InChIInChI=1S/C22H23N5O3/c1-29-20-15(10-24-22(26-20)30-2)13-8-5-9-14-18(23)17-16(25-19(13)14)11-27(21(17)28)12-6-3-4-7-12/h5,8-12,28H,3-4,6-7,23H2,1-2H3
InChIKeyNFIXNUFEBOBTKU-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.07
Rot. Bonds4

About 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol

9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol (PubChem CID 136648025) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol.

Molecular Properties

Compound Name9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol
PubChem CID136648025
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol
SMILESCOc1ncc(-c2cccc3c(N)c4c(O)n(C5CCCC5)cc4nc23)c(OC)n1
InChIInChI=1S/C22H23N5O3/c1-29-20-15(10-24-22(26-20)30-2)13-8-5-9-14-18(23)17-16(25-19(13)14)11-27(21(17)28)12-6-3-4-7-12/h5,8-12,28H,3-4,6-7,23H2,1-2H3
InChIKeyNFIXNUFEBOBTKU-UHFFFAOYSA-N
XLogP4.07
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol with MolForge

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Related Compounds

9-amino-2-cyclobutyl-5-(2,6-dimethoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649756
9-amino-2-cyclobutyl-5-(3-methoxy-4-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136613315
9-amino-2-cyclopentyl-5-(2,5-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136598335
4-(9-amino-2-cyclobutyl-1-hydroxypyrrolo[3,4-b]quinolin-5-yl)-6-methoxypyridine-3-carbonitrile
CID 136650584
9-amino-2-cyclobutyl-5-(2,6-difluoro-4-methoxyphenyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136503764
9-amino-2-cyclobutyl-6-fluoro-5-(2-methoxy-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136649446
9-amino-5-(2-chloro-6-methoxyphenyl)-2-cyclopropylpyrrolo[3,4-b]quinolin-1-ol
CID 136612019
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620
4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791549
9-amino-5-(2,4-dimethoxypyrimidin-5-yl)-2-ethyl-6-fluoropyrrolo[3,4-b]quinolin-1-ol
CID 136641035
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791621
9-amino-5-(5-bromo-2-methoxy-3-pyridinyl)-2-propylpyrrolo[3,4-b]quinolin-1-ol
CID 136647548

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol?
The IUPAC name of 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol (CID 136648025) is 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol.
What is the SMILES notation for 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol?
The canonical SMILES for 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol is COc1ncc(-c2cccc3c(N)c4c(O)n(C5CCCC5)cc4nc23)c(OC)n1.
What is the InChIKey of 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol?
The InChIKey is NFIXNUFEBOBTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-20-15(10-24-22(26-20)30-2)13-8-5-9-14-18(23)17-16(25-19(13)14)11-27(21(17)28)12-6-3-4-7-12/h5,8-12,28H,3-4,6-7,23H2,1-2H3.
What are the key properties of 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol?
9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol has a molecular weight of 405.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol is sourced from PubChem (CID 136648025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).