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

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Related Compounds

N-[4-[(4-morpholin-4-ylquinazolin-2-yl)carbamoylamino]phenyl]acetamide
CID 162670614
N-[3-(4-aminoquinazolin-6-yl)-5-fluoro-phenyl]acetamide
CID 86703925
US12053473, Example I-340
CID 153283596
2-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 661646
2-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)quinazolin-4-amine
CID 3233363
N-[2-[[6-(2-methylphenyl)quinazolin-4-yl]amino]ethyl]acetamide
CID 3233963
N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 3235120
N-(trans-4-((6-(3-Fluorophenyl)-2-(isopropylamino)quinazolin-4-yl)amino)cyclohexyl)-1-methylpiperidine-3-carboxamide
CID 137638410
N-[4-[[6-(2-fluorophenyl)-2-(propan-2-ylamino)quinazolin-4-yl]amino]cyclohexyl]-1-methylpiperidine-3-carboxamide
CID 137650242
N-[4-[[6-(4-fluorophenyl)-2-(propan-2-ylamino)quinazolin-4-yl]amino]cyclohexyl]-1-methylpiperidine-3-carboxamide
CID 137661147
N'-[2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methylquinolin-4-yl]-N-(oxetan-3-yl)ethane-1,2-diamine
CID 145959953
1-[4-[[6-(3-fluorophenyl)-2-[[(2R)-1-hydroxypropan-2-yl]amino]quinazolin-4-yl]amino]cyclohexyl]-3-propan-2-ylurea
CID 145965177

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).