N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide

C20H21FN4O2 — CID 91010543

IUPACN-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide
SMILESCNc1ncnc2ccc(-c3ccc(F)c(CNC(=O)C(C)OC)c3)cc12
InChIInChI=1S/C20H21FN4O2/c1-12(27-3)20(26)23-10-15-8-13(4-6-17(15)21)14-5-7-18-16(9-14)19(22-2)25-11-24-18/h4-9,11-12H,10H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyNAMGJVLZKBNEAF-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.13
Rot. Bonds6

About N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide

N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide (PubChem CID 91010543) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide
PubChem CID91010543
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide
SMILESCNc1ncnc2ccc(-c3ccc(F)c(CNC(=O)C(C)OC)c3)cc12
InChIInChI=1S/C20H21FN4O2/c1-12(27-3)20(26)23-10-15-8-13(4-6-17(15)21)14-5-7-18-16(9-14)19(22-2)25-11-24-18/h4-9,11-12H,10H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyNAMGJVLZKBNEAF-UHFFFAOYSA-N
XLogP3.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide?
The IUPAC name of N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide (CID 91010543) is N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide.
What is the SMILES notation for N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide?
The canonical SMILES for N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide is CNc1ncnc2ccc(-c3ccc(F)c(CNC(=O)C(C)OC)c3)cc12.
What is the InChIKey of N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide?
The InChIKey is NAMGJVLZKBNEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12(27-3)20(26)23-10-15-8-13(4-6-17(15)21)14-5-7-18-16(9-14)19(22-2)25-11-24-18/h4-9,11-12H,10H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide?
N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide has a molecular weight of 368.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-2-methoxypropanamide is sourced from PubChem (CID 91010543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).