N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C39H38F3N7O2 — CID 67356301

IUPACN-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(c3ccc(-c4nc5ccc(-c6cnc7ccccc7c6)cc5c5c4NC(=O)CN5)cc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C39H38F3N7O2/c1-48-14-12-28(13-15-48)45-38(51)23-10-16-49(17-11-23)33-9-7-26(20-30(33)39(40,41)42)35-37-36(44-22-34(50)47-37)29-19-24(6-8-32(29)46-35)27-18-25-4-2-3-5-31(25)43-21-27/h2-9,18-21,23,28,44H,10-17,22H2,1H3,(H,45,51)(H,47,50)
InChIKeyOOMNZNFIUQPDQE-UHFFFAOYSA-N
MW693.77 g/mol
LogP6.93
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 67356301) has the molecular formula C39H38F3N7O2 and a molecular weight of 693.77 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID67356301
Molecular FormulaC39H38F3N7O2
Molecular Weight693.77 g/mol
Exact Mass693.30
IUPAC NameN-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(c3ccc(-c4nc5ccc(-c6cnc7ccccc7c6)cc5c5c4NC(=O)CN5)cc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C39H38F3N7O2/c1-48-14-12-28(13-15-48)45-38(51)23-10-16-49(17-11-23)33-9-7-26(20-30(33)39(40,41)42)35-37-36(44-22-34(50)47-37)29-19-24(6-8-32(29)46-35)27-18-25-4-2-3-5-31(25)43-21-27/h2-9,18-21,23,28,44H,10-17,22H2,1H3,(H,45,51)(H,47,50)
InChIKeyOOMNZNFIUQPDQE-UHFFFAOYSA-N
XLogP6.93
TPSA102.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.77
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 67356301) is N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CN1CCC(NC(=O)C2CCN(c3ccc(-c4nc5ccc(-c6cnc7ccccc7c6)cc5c5c4NC(=O)CN5)cc3C(F)(F)F)CC2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is OOMNZNFIUQPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38F3N7O2/c1-48-14-12-28(13-15-48)45-38(51)23-10-16-49(17-11-23)33-9-7-26(20-30(33)39(40,41)42)35-37-36(44-22-34(50)47-37)29-19-24(6-8-32(29)46-35)27-18-25-4-2-3-5-31(25)43-21-27/h2-9,18-21,23,28,44H,10-17,22H2,1H3,(H,45,51)(H,47,50).
What are the key properties of N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 693.77 g/mol, XLogP of 6.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 67356301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).