N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide

C19H16F3N3O2 — CID 171779435

IUPACN-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1Nc1cc(C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C19H16F3N3O2/c1-11(26)23-12-7-8-17(27-2)16(9-12)25-18-10-14(19(20,21)22)13-5-3-4-6-15(13)24-18/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKeyXFQFCHFXUCBVBK-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.96
Rot. Bonds4

About N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide

N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide (PubChem CID 171779435) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide
PubChem CID171779435
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1Nc1cc(C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C19H16F3N3O2/c1-11(26)23-12-7-8-17(27-2)16(9-12)25-18-10-14(19(20,21)22)13-5-3-4-6-15(13)24-18/h3-10H,1-2H3,(H,23,26)(H,24,25)
InChIKeyXFQFCHFXUCBVBK-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide (CID 171779435) is N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide is COc1ccc(NC(C)=O)cc1Nc1cc(C(F)(F)F)c2ccccc2n1.
What is the InChIKey of N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide?
The InChIKey is XFQFCHFXUCBVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-11(26)23-12-7-8-17(27-2)16(9-12)25-18-10-14(19(20,21)22)13-5-3-4-6-15(13)24-18/h3-10H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide?
N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 171779435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).