6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one

C26H29N5O2 — CID 145185179

IUPAC6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one
SMILESCC(C)=O.Cn1ccc2ccc(-c3cc(NC4CCCC4)cc4ncc(C(N)=O)nc34)cc21
InChIInChI=1S/C23H23N5O.C3H6O/c1-28-9-8-14-6-7-15(10-21(14)28)18-11-17(26-16-4-2-3-5-16)12-19-22(18)27-20(13-25-19)23(24)29;1-3(2)4/h6-13,16,26H,2-5H2,1H3,(H2,24,29);1-2H3
InChIKeyMMEMZTHHDVFNTL-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.84
Rot. Bonds4

About 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one

6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one (PubChem CID 145185179) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one.

Molecular Properties

Compound Name6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one
PubChem CID145185179
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one
SMILESCC(C)=O.Cn1ccc2ccc(-c3cc(NC4CCCC4)cc4ncc(C(N)=O)nc34)cc21
InChIInChI=1S/C23H23N5O.C3H6O/c1-28-9-8-14-6-7-15(10-21(14)28)18-11-17(26-16-4-2-3-5-16)12-19-22(18)27-20(13-25-19)23(24)29;1-3(2)4/h6-13,16,26H,2-5H2,1H3,(H2,24,29);1-2H3
InChIKeyMMEMZTHHDVFNTL-UHFFFAOYSA-N
XLogP4.84
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one?
The IUPAC name of 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one (CID 145185179) is 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one.
What is the SMILES notation for 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one?
The canonical SMILES for 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one is CC(C)=O.Cn1ccc2ccc(-c3cc(NC4CCCC4)cc4ncc(C(N)=O)nc34)cc21.
What is the InChIKey of 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one?
The InChIKey is MMEMZTHHDVFNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C3H6O/c1-28-9-8-14-6-7-15(10-21(14)28)18-11-17(26-16-4-2-3-5-16)12-19-22(18)27-20(13-25-19)23(24)29;1-3(2)4/h6-13,16,26H,2-5H2,1H3,(H2,24,29);1-2H3.
What are the key properties of 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one?
6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one has a molecular weight of 443.55 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-8-(1-methylindol-6-yl)quinoxaline-2-carboxamide;propan-2-one is sourced from PubChem (CID 145185179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).