5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

C22H18ClF3N4O3 — CID 10195600

IUPAC5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CCNC(=O)C(F)(F)F)C1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H18ClF3N4O3/c23-14-5-6-15-13(9-14)11-16(28-15)19(31)29-17-10-12-3-1-2-4-18(12)30(20(17)32)8-7-27-21(33)22(24,25)26/h1-6,9,11,17,28H,7-8,10H2,(H,27,33)(H,29,31)
InChIKeyVIFXDHLIRYEOBH-UHFFFAOYSA-N
MW478.86 g/mol
LogP3.19
Rot. Bonds5

About 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide

5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (PubChem CID 10195600) has the molecular formula C22H18ClF3N4O3 and a molecular weight of 478.86 g/mol. Its IUPAC name is 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
PubChem CID10195600
Molecular FormulaC22H18ClF3N4O3
Molecular Weight478.86 g/mol
Exact Mass478.10
IUPAC Name5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1Cc2ccccc2N(CCNC(=O)C(F)(F)F)C1=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H18ClF3N4O3/c23-14-5-6-15-13(9-14)11-16(28-15)19(31)29-17-10-12-3-1-2-4-18(12)30(20(17)32)8-7-27-21(33)22(24,25)26/h1-6,9,11,17,28H,7-8,10H2,(H,27,33)(H,29,31)
InChIKeyVIFXDHLIRYEOBH-UHFFFAOYSA-N
XLogP3.19
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.86
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide (CID 10195600) is 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is O=C(NC1Cc2ccccc2N(CCNC(=O)C(F)(F)F)C1=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is VIFXDHLIRYEOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O3/c23-14-5-6-15-13(9-14)11-16(28-15)19(31)29-17-10-12-3-1-2-4-18(12)30(20(17)32)8-7-27-21(33)22(24,25)26/h1-6,9,11,17,28H,7-8,10H2,(H,27,33)(H,29,31).
What are the key properties of 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide?
5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 478.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-oxo-1-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-3,4-dihydroquinolin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10195600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).