7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine

C22H23ClN6 — CID 126638050

IUPAC7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
SMILESNc1nc2cc(CCC3CCC(n4ccc5c(N)ncnc54)C3)ccc2cc1Cl
InChIInChI=1S/C22H23ClN6/c23-18-11-15-5-3-14(10-19(15)28-21(18)25)2-1-13-4-6-16(9-13)29-8-7-17-20(24)26-12-27-22(17)29/h3,5,7-8,10-13,16H,1-2,4,6,9H2,(H2,25,28)(H2,24,26,27)
InChIKeyHISATNFCYRZBKI-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.77
Rot. Bonds4

About 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine

7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine (PubChem CID 126638050) has the molecular formula C22H23ClN6 and a molecular weight of 406.92 g/mol. Its IUPAC name is 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine.

Molecular Properties

Compound Name7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
PubChem CID126638050
Molecular FormulaC22H23ClN6
Molecular Weight406.92 g/mol
Exact Mass406.17
IUPAC Name7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
SMILESNc1nc2cc(CCC3CCC(n4ccc5c(N)ncnc54)C3)ccc2cc1Cl
InChIInChI=1S/C22H23ClN6/c23-18-11-15-5-3-14(10-19(15)28-21(18)25)2-1-13-4-6-16(9-13)29-8-7-17-20(24)26-12-27-22(17)29/h3,5,7-8,10-13,16H,1-2,4,6,9H2,(H2,25,28)(H2,24,26,27)
InChIKeyHISATNFCYRZBKI-UHFFFAOYSA-N
XLogP4.77
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine with MolForge

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Related Compounds

7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloro-5-fluoroquinolin-2-amine;ethene
CID 155705457
7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
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
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-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 145263806
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
7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134417070
2-[(1R,2R,4S)-4-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]oxypropan-2-ol
CID 167041873
(1S,2R,3S,5R)-3-[2-(2-amino-3-chloroquinolin-7-yl)ethyl]-5-[4-(cyclopropylmethyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentane-1,2-diol
CID 157343251
7-[3-[(4-chlorophenyl)methyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142419646
7-[3-(4-aminobutyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462175
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopropylquinazolin-2-amine
CID 145263574

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine?
The IUPAC name of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine (CID 126638050) is 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine.
What is the SMILES notation for 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine?
The canonical SMILES for 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine is Nc1nc2cc(CCC3CCC(n4ccc5c(N)ncnc54)C3)ccc2cc1Cl.
What is the InChIKey of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine?
The InChIKey is HISATNFCYRZBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6/c23-18-11-15-5-3-14(10-19(15)28-21(18)25)2-1-13-4-6-16(9-13)29-8-7-17-20(24)26-12-27-22(17)29/h3,5,7-8,10-13,16H,1-2,4,6,9H2,(H2,25,28)(H2,24,26,27).
What are the key properties of 7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine?
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine has a molecular weight of 406.92 g/mol, XLogP of 4.77, 4 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)cyclopentyl]ethyl]-3-chloroquinolin-2-amine is sourced from PubChem (CID 126638050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).