N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

C25H17ClF3N5O2 — CID 139782558

IUPACN-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c(N3CCN(c4ccccc4)C3=O)c(Cl)cnc12)c1cnccc1C(F)(F)F
InChIInChI=1S/C25H17ClF3N5O2/c26-19-14-31-21-16(22(19)34-12-11-33(24(34)36)15-5-2-1-3-6-15)7-4-8-20(21)32-23(35)17-13-30-10-9-18(17)25(27,28)29/h1-10,13-14H,11-12H2,(H,32,35)
InChIKeyXBZSOOXBEVJUDS-UHFFFAOYSA-N
MW511.89 g/mol
LogP6.00
Rot. Bonds4

About N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 139782558) has the molecular formula C25H17ClF3N5O2 and a molecular weight of 511.89 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID139782558
Molecular FormulaC25H17ClF3N5O2
Molecular Weight511.89 g/mol
Exact Mass511.10
IUPAC NameN-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc2c(N3CCN(c4ccccc4)C3=O)c(Cl)cnc12)c1cnccc1C(F)(F)F
InChIInChI=1S/C25H17ClF3N5O2/c26-19-14-31-21-16(22(19)34-12-11-33(24(34)36)15-5-2-1-3-6-15)7-4-8-20(21)32-23(35)17-13-30-10-9-18(17)25(27,28)29/h1-10,13-14H,11-12H2,(H,32,35)
InChIKeyXBZSOOXBEVJUDS-UHFFFAOYSA-N
XLogP6.00
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.89
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 139782558) is N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1cccc2c(N3CCN(c4ccccc4)C3=O)c(Cl)cnc12)c1cnccc1C(F)(F)F.
What is the InChIKey of N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XBZSOOXBEVJUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N5O2/c26-19-14-31-21-16(22(19)34-12-11-33(24(34)36)15-5-2-1-3-6-15)7-4-8-20(21)32-23(35)17-13-30-10-9-18(17)25(27,28)29/h1-10,13-14H,11-12H2,(H,32,35).
What are the key properties of N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 511.89 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139782558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).