2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide

C22H26N4O3 — CID 164621719

IUPAC2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C(N)=O)C(C)C
InChIInChI=1S/C22H26N4O3/c1-13(2)20(21(23)27)29-19-12-15(10-11-18(19)28-5)26(4)22-16-8-6-7-9-17(16)24-14(3)25-22/h6-13,20H,1-5H3,(H2,23,27)
InChIKeyKJVGWMJKFFMOLE-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.60
Rot. Bonds7

About 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide

2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide (PubChem CID 164621719) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide.

Molecular Properties

Compound Name2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide
PubChem CID164621719
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C(N)=O)C(C)C
InChIInChI=1S/C22H26N4O3/c1-13(2)20(21(23)27)29-19-12-15(10-11-18(19)28-5)26(4)22-16-8-6-7-9-17(16)24-14(3)25-22/h6-13,20H,1-5H3,(H2,23,27)
InChIKeyKJVGWMJKFFMOLE-UHFFFAOYSA-N
XLogP3.60
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide?
The IUPAC name of 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide (CID 164621719) is 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide.
What is the SMILES notation for 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide?
The canonical SMILES for 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide is COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1OC(C(N)=O)C(C)C.
What is the InChIKey of 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide?
The InChIKey is KJVGWMJKFFMOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13(2)20(21(23)27)29-19-12-15(10-11-18(19)28-5)26(4)22-16-8-6-7-9-17(16)24-14(3)25-22/h6-13,20H,1-5H3,(H2,23,27).
What are the key properties of 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide?
2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide has a molecular weight of 394.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-3-methylbutanamide is sourced from PubChem (CID 164621719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).