2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide

C18H14F2N2O3 — CID 51337639

IUPAC2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cnc3ccccc3c2)c1OC(F)F
InChIInChI=1S/C18H14F2N2O3/c1-24-15-8-4-6-13(16(15)25-18(19)20)17(23)22-12-9-11-5-2-3-7-14(11)21-10-12/h2-10,18H,1H3,(H,22,23)
InChIKeyDOHKLNQWRLVJGP-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.10
Rot. Bonds5

About 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide

2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide (PubChem CID 51337639) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
PubChem CID51337639
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide
SMILESCOc1cccc(C(=O)Nc2cnc3ccccc3c2)c1OC(F)F
InChIInChI=1S/C18H14F2N2O3/c1-24-15-8-4-6-13(16(15)25-18(19)20)17(23)22-12-9-11-5-2-3-7-14(11)21-10-12/h2-10,18H,1H3,(H,22,23)
InChIKeyDOHKLNQWRLVJGP-UHFFFAOYSA-N
XLogP4.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
2-(difluoromethoxy)-3-methoxy-N-(3-methylsulfanylphenyl)benzamide
CID 51149413
2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 51337636
methyl N-quinolin-3-ylcarbamate
CID 19697860
2-(difluoromethoxy)-3-methoxy-N-(4-propylphenyl)benzamide
CID 112765648
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057
N-[4-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]phenyl]furan-2-carboxamide
CID 55505645

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide (CID 51337639) is 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide is COc1cccc(C(=O)Nc2cnc3ccccc3c2)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide?
The InChIKey is DOHKLNQWRLVJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-24-15-8-4-6-13(16(15)25-18(19)20)17(23)22-12-9-11-5-2-3-7-14(11)21-10-12/h2-10,18H,1H3,(H,22,23).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide?
2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide has a molecular weight of 344.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 51337639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).