N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

C26H29F3N4O2 — CID 175526116

IUPACN-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCN(C)C(CNC(=O)CC(c1cccnc1)C1(C(F)(F)F)CC1)Cc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C26H29F3N4O2/c1-33(2)20(13-17-5-7-22-18(12-17)6-8-23(34)32-22)16-31-24(35)14-21(19-4-3-11-30-15-19)25(9-10-25)26(27,28)29/h3-8,11-12,15,20-21H,9-10,13-14,16H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyNCDXEDWBBRGDJD-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.03
Rot. Bonds9

About N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 175526116) has the molecular formula C26H29F3N4O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID175526116
Molecular FormulaC26H29F3N4O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC NameN-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCN(C)C(CNC(=O)CC(c1cccnc1)C1(C(F)(F)F)CC1)Cc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C26H29F3N4O2/c1-33(2)20(13-17-5-7-22-18(12-17)6-8-23(34)32-22)16-31-24(35)14-21(19-4-3-11-30-15-19)25(9-10-25)26(27,28)29/h3-8,11-12,15,20-21H,9-10,13-14,16H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyNCDXEDWBBRGDJD-UHFFFAOYSA-N
XLogP4.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 175526116) is N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is CN(C)C(CNC(=O)CC(c1cccnc1)C1(C(F)(F)F)CC1)Cc1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is NCDXEDWBBRGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O2/c1-33(2)20(13-17-5-7-22-18(12-17)6-8-23(34)32-22)16-31-24(35)14-21(19-4-3-11-30-15-19)25(9-10-25)26(27,28)29/h3-8,11-12,15,20-21H,9-10,13-14,16H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 486.54 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 175526116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).