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

C22H26N4O3 — CID 164613666

IUPAC2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
SMILESCCCC(Oc1cc(N(C)c2nc(C)nc3ccccc23)ccc1OC)C(N)=O
InChIInChI=1S/C22H26N4O3/c1-5-8-19(21(23)27)29-20-13-15(11-12-18(20)28-4)26(3)22-16-9-6-7-10-17(16)24-14(2)25-22/h6-7,9-13,19H,5,8H2,1-4H3,(H2,23,27)
InChIKeyITCKQZPWNAXSOQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.75
Rot. Bonds8

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

2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide (PubChem CID 164613666) 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]pentanamide.

Molecular Properties

Compound Name2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
PubChem CID164613666
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
SMILESCCCC(Oc1cc(N(C)c2nc(C)nc3ccccc23)ccc1OC)C(N)=O
InChIInChI=1S/C22H26N4O3/c1-5-8-19(21(23)27)29-20-13-15(11-12-18(20)28-4)26(3)22-16-9-6-7-10-17(16)24-14(2)25-22/h6-7,9-13,19H,5,8H2,1-4H3,(H2,23,27)
InChIKeyITCKQZPWNAXSOQ-UHFFFAOYSA-N
XLogP3.75
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.75
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]pentanamide?
The IUPAC name of 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide (CID 164613666) is 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide.
What is the SMILES notation for 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
The canonical SMILES for 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide is CCCC(Oc1cc(N(C)c2nc(C)nc3ccccc23)ccc1OC)C(N)=O.
What is the InChIKey of 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
The InChIKey is ITCKQZPWNAXSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-5-8-19(21(23)27)29-20-13-15(11-12-18(20)28-4)26(3)22-16-9-6-7-10-17(16)24-14(2)25-22/h6-7,9-13,19H,5,8H2,1-4H3,(H2,23,27).
What are the key properties of 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide has a molecular weight of 394.48 g/mol, XLogP of 3.75, 8 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]pentanamide is sourced from PubChem (CID 164613666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).