7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine

C23H23N5 — CID 167150333

IUPAC7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine
SMILESCc1ncnc2c1ccn2C1C=C(CCc2ccc3ccc(N)nc3c2)CC1
InChIInChI=1S/C23H23N5/c1-15-20-10-11-28(23(20)26-14-25-15)19-8-5-16(12-19)2-3-17-4-6-18-7-9-22(24)27-21(18)13-17/h4,6-7,9-14,19H,2-3,5,8H2,1H3,(H2,24,27)
InChIKeyYIXPNMZRDKXWGH-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.76
Rot. Bonds4

About 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine

7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine (PubChem CID 167150333) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine
PubChem CID167150333
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine
SMILESCc1ncnc2c1ccn2C1C=C(CCc2ccc3ccc(N)nc3c2)CC1
InChIInChI=1S/C23H23N5/c1-15-20-10-11-28(23(20)26-14-25-15)19-8-5-16(12-19)2-3-17-4-6-18-7-9-22(24)27-21(18)13-17/h4,6-7,9-14,19H,2-3,5,8H2,1H3,(H2,24,27)
InChIKeyYIXPNMZRDKXWGH-UHFFFAOYSA-N
XLogP4.76
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine?
The IUPAC name of 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine (CID 167150333) is 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine.
What is the SMILES notation for 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine?
The canonical SMILES for 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine is Cc1ncnc2c1ccn2C1C=C(CCc2ccc3ccc(N)nc3c2)CC1.
What is the InChIKey of 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine?
The InChIKey is YIXPNMZRDKXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-15-20-10-11-28(23(20)26-14-25-15)19-8-5-16(12-19)2-3-17-4-6-18-7-9-22(24)27-21(18)13-17/h4,6-7,9-14,19H,2-3,5,8H2,1H3,(H2,24,27).
What are the key properties of 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine?
7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine has a molecular weight of 369.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopenten-1-yl]ethyl]quinolin-2-amine is sourced from PubChem (CID 167150333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).