N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide

C20H18F2N4O — CID 135126574

IUPACN-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)cc2c1C
InChIInChI=1S/C20H18F2N4O/c1-11-12(2)24-25-19-6-3-13(7-16(11)19)20(27)23-14-9-26(10-14)15-4-5-17(21)18(22)8-15/h3-8,14H,9-10H2,1-2H3,(H,23,27)
InChIKeyOHCBGZOTHAVARJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.14
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide

N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (PubChem CID 135126574) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
PubChem CID135126574
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)cc2c1C
InChIInChI=1S/C20H18F2N4O/c1-11-12(2)24-25-19-6-3-13(7-16(11)19)20(27)23-14-9-26(10-14)15-4-5-17(21)18(22)8-15/h3-8,14H,9-10H2,1-2H3,(H,23,27)
InChIKeyOHCBGZOTHAVARJ-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (CID 135126574) is N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is Cc1nnc2ccc(C(=O)NC3CN(c4ccc(F)c(F)c4)C3)cc2c1C.
What is the InChIKey of N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The InChIKey is OHCBGZOTHAVARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-11-12(2)24-25-19-6-3-13(7-16(11)19)20(27)23-14-9-26(10-14)15-4-5-17(21)18(22)8-15/h3-8,14H,9-10H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is sourced from PubChem (CID 135126574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).