ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate

C23H27N3O3 — CID 153310887

IUPACethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
SMILESCCCC(Oc1cccc(N(C)c2nc(C)nc3ccccc23)c1)C(=O)OCC
InChIInChI=1S/C23H27N3O3/c1-5-10-21(23(27)28-6-2)29-18-12-9-11-17(15-18)26(4)22-19-13-7-8-14-20(19)24-16(3)25-22/h7-9,11-15,21H,5-6,10H2,1-4H3
InChIKeyDSNQJGCGJXDPKX-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.82
Rot. Bonds8

About ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate

ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate (PubChem CID 153310887) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
PubChem CID153310887
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Nameethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate
SMILESCCCC(Oc1cccc(N(C)c2nc(C)nc3ccccc23)c1)C(=O)OCC
InChIInChI=1S/C23H27N3O3/c1-5-10-21(23(27)28-6-2)29-18-12-9-11-17(15-18)26(4)22-19-13-7-8-14-20(19)24-16(3)25-22/h7-9,11-15,21H,5-6,10H2,1-4H3
InChIKeyDSNQJGCGJXDPKX-UHFFFAOYSA-N
XLogP4.82
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate?
The IUPAC name of ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate (CID 153310887) is ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate?
The canonical SMILES for ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate is CCCC(Oc1cccc(N(C)c2nc(C)nc3ccccc23)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate?
The InChIKey is DSNQJGCGJXDPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-10-21(23(27)28-6-2)29-18-12-9-11-17(15-18)26(4)22-19-13-7-8-14-20(19)24-16(3)25-22/h7-9,11-15,21H,5-6,10H2,1-4H3.
What are the key properties of ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate?
ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate has a molecular weight of 393.49 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanoate is sourced from PubChem (CID 153310887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).