N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide

C25H27FN4O — CID 177269071

IUPACN-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide
SMILES[2H]C1C(N(C)C)CN1c1ccc(C)c(NC(=O)C2(c3ccc(F)c4ncccc34)CC2)c1
InChIInChI=1S/C25H27FN4O/c1-16-6-7-17(30-14-18(15-30)29(2)3)13-22(16)28-24(31)25(10-11-25)20-8-9-21(26)23-19(20)5-4-12-27-23/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31)/i14D
InChIKeyHJYBQQJOMKZGEC-FCFVPJCTSA-N
MW419.52 g/mol
LogP4.10
Rot. Bonds5

About N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide

N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide (PubChem CID 177269071) has the molecular formula C25H27FN4O and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide
PubChem CID177269071
Molecular FormulaC25H27FN4O
Molecular Weight419.52 g/mol
Exact Mass419.22
IUPAC NameN-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide
SMILES[2H]C1C(N(C)C)CN1c1ccc(C)c(NC(=O)C2(c3ccc(F)c4ncccc34)CC2)c1
InChIInChI=1S/C25H27FN4O/c1-16-6-7-17(30-14-18(15-30)29(2)3)13-22(16)28-24(31)25(10-11-25)20-8-9-21(26)23-19(20)5-4-12-27-23/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31)/i14D
InChIKeyHJYBQQJOMKZGEC-FCFVPJCTSA-N
XLogP4.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-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-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide (CID 177269071) is N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide is [2H]C1C(N(C)C)CN1c1ccc(C)c(NC(=O)C2(c3ccc(F)c4ncccc34)CC2)c1.
What is the InChIKey of N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is HJYBQQJOMKZGEC-FCFVPJCTSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-16-6-7-17(30-14-18(15-30)29(2)3)13-22(16)28-24(31)25(10-11-25)20-8-9-21(26)23-19(20)5-4-12-27-23/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,28,31)/i14D.
What are the key properties of N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide?
N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 419.52 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 N-[5-[2-deuterio-3-(dimethylamino)azetidin-1-yl]-2-methylphenyl]-1-(8-fluoroquinolin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 177269071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).