N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide

C29H28F7N3O2 — CID 90807539

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2cc(CF)c3ccc(=O)[nH]c3c2)C1
InChIInChI=1S/C29H28F7N3O2/c30-13-20-7-19(10-24-23(20)3-4-25(40)38-24)15-39-6-5-27(16-39,12-17-1-2-17)26(41)37-14-18-8-21(28(31,32)33)11-22(9-18)29(34,35)36/h3-4,7-11,17H,1-2,5-6,12-16H2,(H,37,41)(H,38,40)
InChIKeyQOQSFVYPLRBEGN-UHFFFAOYSA-N
MW583.55 g/mol
LogP6.34
Rot. Bonds8

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide (PubChem CID 90807539) has the molecular formula C29H28F7N3O2 and a molecular weight of 583.55 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide
PubChem CID90807539
Molecular FormulaC29H28F7N3O2
Molecular Weight583.55 g/mol
Exact Mass583.21
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2cc(CF)c3ccc(=O)[nH]c3c2)C1
InChIInChI=1S/C29H28F7N3O2/c30-13-20-7-19(10-24-23(20)3-4-25(40)38-24)15-39-6-5-27(16-39,12-17-1-2-17)26(41)37-14-18-8-21(28(31,32)33)11-22(9-18)29(34,35)36/h3-4,7-11,17H,1-2,5-6,12-16H2,(H,37,41)(H,38,40)
InChIKeyQOQSFVYPLRBEGN-UHFFFAOYSA-N
XLogP6.34
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.55
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 24954412
5-[[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-(cyclopropylmethyl)piperidin-1-yl]methyl]-2-hydroxybenzoic acid
CID 24953712
4-(cyclopropylmethyl)-N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-1-[2-oxo-2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]piperidine-4-carboxamide
CID 70828401
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[(3-methoxyoxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 87469087
3-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-3H-indol-6-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 42647227
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 89278223
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-[2-hydroxy-2-(2-oxo-1,3-dihydroindol-6-yl)ethyl]piperidine-4-carboxamide
CID 89174337
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-N-[(5-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperidine-4-carboxamide
CID 87607480
5-[[3-(cyclopropylmethyl)-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]ethenyl]pyrrolidin-1-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 143818569
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(cyclopropylmethyl)-1-(4-hydroxy-2-methoxycyclohexyl)piperidine-4-carboxamide
CID 87467696
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(2-methylpropyl)piperidine-4-carboxamide
CID 24769647
N-[[3-cyano-5-(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-N-[(5-methyl-2-oxo-1H-quinolin-7-yl)methyl]pyrrolidine-3-carboxamide
CID 68871847

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide (CID 90807539) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(CC2CC2)CCN(Cc2cc(CF)c3ccc(=O)[nH]c3c2)C1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is QOQSFVYPLRBEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F7N3O2/c30-13-20-7-19(10-24-23(20)3-4-25(40)38-24)15-39-6-5-27(16-39,12-17-1-2-17)26(41)37-14-18-8-21(28(31,32)33)11-22(9-18)29(34,35)36/h3-4,7-11,17H,1-2,5-6,12-16H2,(H,37,41)(H,38,40).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 583.55 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-[[5-(fluoromethyl)-2-oxo-1H-quinolin-7-yl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 90807539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).