N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide

C25H27FN4O2 — CID 68946087

IUPACN-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1cc(-c2ccc3nc(C)nc(NC4CC4)c3c2)ccc1F)C1CC1
InChIInChI=1S/C25H27FN4O2/c1-15-27-23-10-4-17(12-21(23)25(28-15)29-19-5-6-19)16-3-9-22(26)18(11-16)13-30(20-7-8-20)24(31)14-32-2/h3-4,9-12,19-20H,5-8,13-14H2,1-2H3,(H,27,28,29)
InChIKeyDIGQHHVMXIYKDO-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.46
Rot. Bonds8

About N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide

N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide (PubChem CID 68946087) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide
PubChem CID68946087
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1cc(-c2ccc3nc(C)nc(NC4CC4)c3c2)ccc1F)C1CC1
InChIInChI=1S/C25H27FN4O2/c1-15-27-23-10-4-17(12-21(23)25(28-15)29-19-5-6-19)16-3-9-22(26)18(11-16)13-30(20-7-8-20)24(31)14-32-2/h3-4,9-12,19-20H,5-8,13-14H2,1-2H3,(H,27,28,29)
InChIKeyDIGQHHVMXIYKDO-UHFFFAOYSA-N
XLogP4.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide 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-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide?
The IUPAC name of N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide (CID 68946087) is N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide is COCC(=O)N(Cc1cc(-c2ccc3nc(C)nc(NC4CC4)c3c2)ccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide?
The InChIKey is DIGQHHVMXIYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-15-27-23-10-4-17(12-21(23)25(28-15)29-19-5-6-19)16-3-9-22(26)18(11-16)13-30(20-7-8-20)24(31)14-32-2/h3-4,9-12,19-20H,5-8,13-14H2,1-2H3,(H,27,28,29).
What are the key properties of N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide?
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide has a molecular weight of 434.52 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-[4-(cyclopropylamino)-2-methylquinazolin-6-yl]-2-fluorophenyl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 68946087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).