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

C25H28N6O — CID 138712581

IUPAC7-[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
SMILESC[C@H]1CNc2nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)C4)ccc3cc2O1
InChIInChI=1S/C25H28N6O/c1-15-13-27-24-22(32-15)12-18-6-4-17(11-21(18)30-24)3-2-16-5-7-19(10-16)31-9-8-20-23(26)28-14-29-25(20)31/h4,6,8-9,11-12,14-16,19H,2-3,5,7,10,13H2,1H3,(H,27,30)(H2,26,28,29)/t15-,16?,19?/m0/s1
InChIKeyIONLVURAYNDUBG-LYGPFTKASA-N
MW428.54 g/mol
LogP4.73
Rot. Bonds4

About 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

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 (PubChem CID 138712581) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID138712581
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name7-[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
SMILESC[C@H]1CNc2nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)C4)ccc3cc2O1
InChIInChI=1S/C25H28N6O/c1-15-13-27-24-22(32-15)12-18-6-4-17(11-21(18)30-24)3-2-16-5-7-19(10-16)31-9-8-20-23(26)28-14-29-25(20)31/h4,6,8-9,11-12,14-16,19H,2-3,5,7,10,13H2,1H3,(H,27,30)(H2,26,28,29)/t15-,16?,19?/m0/s1
InChIKeyIONLVURAYNDUBG-LYGPFTKASA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[(2R)-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl]ethyl]cyclopentane-1,2-diol
CID 138712553
(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-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
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
7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134417070
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 145263806
8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one
CID 138712551
(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
4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[2-(3-methylquinolin-7-yl)ethyl]cyclopentan-1-ol
CID 166776548
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloro-5-fluoroquinolin-2-amine;ethene
CID 155705457

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CNc2nc3cc(CCC4CCC(n5ccc6c(N)ncnc65)C4)ccc3cc2O1.
What is the InChIKey of 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?
The InChIKey is IONLVURAYNDUBG-LYGPFTKASA-N. The full InChI is InChI=1S/C25H28N6O/c1-15-13-27-24-22(32-15)12-18-6-4-17(11-21(18)30-24)3-2-16-5-7-19(10-16)31-9-8-20-23(26)28-14-29-25(20)31/h4,6,8-9,11-12,14-16,19H,2-3,5,7,10,13H2,1H3,(H,27,30)(H2,26,28,29)/t15-,16?,19?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 428.54 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138712581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).