7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C25H28N6O — CID 155362922

IUPAC7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CNc2nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)O4)ccc3cc21
InChIInChI=1S/C25H28N6O/c1-25(2)13-27-23-19(25)12-16-5-3-15(11-20(16)30-23)4-6-17-7-8-21(32-17)31-10-9-18-22(26)28-14-29-24(18)31/h3,5,9-12,14,17,21H,4,6-8,13H2,1-2H3,(H,27,30)(H2,26,28,29)
InChIKeyDORJBEQMKRHPQJ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.58
Rot. Bonds4

About 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155362922) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155362922
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CNc2nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)O4)ccc3cc21
InChIInChI=1S/C25H28N6O/c1-25(2)13-27-23-19(25)12-16-5-3-15(11-20(16)30-23)4-6-17-7-8-21(32-17)31-10-9-18-22(26)28-14-29-24(18)31/h3,5,9-12,14,17,21H,4,6-8,13H2,1-2H3,(H,27,30)(H2,26,28,29)
InChIKeyDORJBEQMKRHPQJ-UHFFFAOYSA-N
XLogP4.58
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

8-[2-(5-pyrrolo[2,3-d]pyrimidin-7-yloxolan-2-yl)ethyl]-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine
CID 155362445
7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155362929
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[(2S)-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl]ethyl]oxolane-3,4-diol
CID 138712537
7-[3-[2-(3-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 138713003
(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[(3S)-3-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl]ethyl]cyclopentane-1,2-diol
CID 138682276
7-[3-[2-[(2S)-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 138712581
(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[(2R)-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl]ethyl]cyclopentane-1,2-diol
CID 138712553
7-[(2R,5S)-5-(quinolin-3-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 166776309
7-[[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy]-N-methylquinolin-2-amine
CID 166776556
7-[(2R,5S)-5-[(3-chloroquinolin-7-yl)oxymethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine;methanol
CID 178089083
7-[(2R,5S)-5-(quinolin-6-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 166776326
ethanamine;7-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 145365041

Frequently Asked Questions

What is the IUPAC name of 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 155362922) is 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is CC1(C)CNc2nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)O4)ccc3cc21.
What is the InChIKey of 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DORJBEQMKRHPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-25(2)13-27-23-19(25)12-16-5-3-15(11-20(16)30-23)4-6-17-7-8-21(32-17)31-10-9-18-22(26)28-14-29-24(18)31/h3,5,9-12,14,17,21H,4,6-8,13H2,1-2H3,(H,27,30)(H2,26,28,29).
What are the key properties of 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 428.54 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[2-(3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155362922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).