4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide

C23H23N5O3 — CID 71061364

IUPAC4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2cc(-c3ccc(N4CCOC4=O)cc3)ccc2c1NCCC1CC1
InChIInChI=1S/C23H23N5O3/c24-22(29)21-20(25-10-9-14-1-2-14)18-8-5-16(13-19(18)26-27-21)15-3-6-17(7-4-15)28-11-12-31-23(28)30/h3-8,13-14H,1-2,9-12H2,(H2,24,29)(H,25,26)
InChIKeyQFKVFFKRBYQNFF-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.56
Rot. Bonds7

About 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide

4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide (PubChem CID 71061364) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide
PubChem CID71061364
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2cc(-c3ccc(N4CCOC4=O)cc3)ccc2c1NCCC1CC1
InChIInChI=1S/C23H23N5O3/c24-22(29)21-20(25-10-9-14-1-2-14)18-8-5-16(13-19(18)26-27-21)15-3-6-17(7-4-15)28-11-12-31-23(28)30/h3-8,13-14H,1-2,9-12H2,(H2,24,29)(H,25,26)
InChIKeyQFKVFFKRBYQNFF-UHFFFAOYSA-N
XLogP3.56
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide?
The IUPAC name of 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide (CID 71061364) is 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide is NC(=O)c1nnc2cc(-c3ccc(N4CCOC4=O)cc3)ccc2c1NCCC1CC1.
What is the InChIKey of 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide?
The InChIKey is QFKVFFKRBYQNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c24-22(29)21-20(25-10-9-14-1-2-14)18-8-5-16(13-19(18)26-27-21)15-3-6-17(7-4-15)28-11-12-31-23(28)30/h3-8,13-14H,1-2,9-12H2,(H2,24,29)(H,25,26).
What are the key properties of 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide?
4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide is sourced from PubChem (CID 71061364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).