7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine

C23H24N6 — CID 138748501

IUPAC7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine
SMILESCNc1ccc2ccc(CCC3=CC(n4ccc5c(N)ncnc54)CC3)cc2n1
InChIInChI=1S/C23H24N6/c1-25-21-9-7-17-6-4-16(13-20(17)28-21)3-2-15-5-8-18(12-15)29-11-10-19-22(24)26-14-27-23(19)29/h4,6-7,9-14,18H,2-3,5,8H2,1H3,(H,25,28)(H2,24,26,27)
InChIKeySMPKWMFNMYGHOT-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.50
Rot. Bonds5

About 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine

7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine (PubChem CID 138748501) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine
PubChem CID138748501
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine
SMILESCNc1ccc2ccc(CCC3=CC(n4ccc5c(N)ncnc54)CC3)cc2n1
InChIInChI=1S/C23H24N6/c1-25-21-9-7-17-6-4-16(13-20(17)28-21)3-2-15-5-8-18(12-15)29-11-10-19-22(24)26-14-27-23(19)29/h4,6-7,9-14,18H,2-3,5,8H2,1H3,(H,25,28)(H2,24,26,27)
InChIKeySMPKWMFNMYGHOT-UHFFFAOYSA-N
XLogP4.50
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine
CID 167150333
(1R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-[2-[2-(methylamino)quinolin-7-yl]ethyl]cyclopent-3-ene-1,2-diol
CID 175486945
7-[2-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
CID 166039032
7-[2-[(3aR,6R,6aS)-6-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethyl]-N-cyclobutylquinolin-2-amine
CID 138748160
7-[[(2S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy]-N-methylquinolin-2-amine
CID 166776556
7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[2-[2-(cyclopropylmethylamino)quinolin-7-yl]ethyl]cyclopentan-1-ol
CID 170295808
2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[2-[2-(cyclobutylamino)quinolin-7-yl]ethyl]cyclopentan-1-ol
CID 178088970
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 145263806
7-[3-[2-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl)ethyl]cyclopent-2-en-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155738667
(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[2-(cyclopropylmethylamino)quinolin-7-yl]ethyl]cyclopentane-1,2-diol;hydrochloride
CID 162314311
(1R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopent-3-ene-1,2-diol
CID 175486863

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine?
The IUPAC name of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine (CID 138748501) is 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine.
What is the SMILES notation for 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine?
The canonical SMILES for 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine is CNc1ccc2ccc(CCC3=CC(n4ccc5c(N)ncnc54)CC3)cc2n1.
What is the InChIKey of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine?
The InChIKey is SMPKWMFNMYGHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-25-21-9-7-17-6-4-16(13-20(17)28-21)3-2-15-5-8-18(12-15)29-11-10-19-22(24)26-14-27-23(19)29/h4,6-7,9-14,18H,2-3,5,8H2,1H3,(H,25,28)(H2,24,26,27).
What are the key properties of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine?
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine has a molecular weight of 384.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]-N-methylquinolin-2-amine is sourced from PubChem (CID 138748501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).