N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide

C20H18F2N4O — CID 59302734

IUPACN-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(c2nc(-c3ccccc3C(F)F)nc3ccccc23)C1
InChIInChI=1S/C20H18F2N4O/c1-12(27)23-13-10-26(11-13)20-16-8-4-5-9-17(16)24-19(25-20)15-7-3-2-6-14(15)18(21)22/h2-9,13,18H,10-11H2,1H3,(H,23,27)
InChIKeyHHZFDJGPLXYCLZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.56
Rot. Bonds4

About N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide

N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide (PubChem CID 59302734) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide
PubChem CID59302734
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(c2nc(-c3ccccc3C(F)F)nc3ccccc23)C1
InChIInChI=1S/C20H18F2N4O/c1-12(27)23-13-10-26(11-13)20-16-8-4-5-9-17(16)24-19(25-20)15-7-3-2-6-14(15)18(21)22/h2-9,13,18H,10-11H2,1H3,(H,23,27)
InChIKeyHHZFDJGPLXYCLZ-UHFFFAOYSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
2-methylpropyl N-[(3R)-1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate;molecular hydrogen
CID 159801682
2-hydroxy-N-[1-[2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]pentanamide
CID 158530174
[(3R)-1-[2-[2-(difluoromethyl)phenyl]-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-(2-methylpropyl)carbamic acid
CID 66616518
N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
CID 143198414
2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 710985
1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 4523705
4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 23828257
N-[1-[2-(4-amino-3-nitroanilino)quinazolin-4-yl]pyrrolidin-3-yl]acetamide
CID 140708712
1-[(3S)-1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100676372
N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen
CID 159794239
2-hydroxy-1-[4-[2-(2-methylphenyl)quinazolin-4-yl]piperazin-1-yl]pentan-1-one
CID 157193682

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide (CID 59302734) is N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide is CC(=O)NC1CN(c2nc(-c3ccccc3C(F)F)nc3ccccc23)C1.
What is the InChIKey of N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide?
The InChIKey is HHZFDJGPLXYCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-12(27)23-13-10-26(11-13)20-16-8-4-5-9-17(16)24-19(25-20)15-7-3-2-6-14(15)18(21)22/h2-9,13,18H,10-11H2,1H3,(H,23,27).
What are the key properties of N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide?
N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(difluoromethyl)phenyl]quinazolin-4-yl]azetidin-3-yl]acetamide is sourced from PubChem (CID 59302734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).