3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol

C20H22N4O3 — CID 70920913

IUPAC3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol
SMILESCOc1cc(O)cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)c1
InChIInChI=1S/C20H22N4O3/c1-26-18-9-14(8-15(25)10-18)23-20-22-12-13-2-3-17(11-19(13)24-20)27-16-4-6-21-7-5-16/h2-3,8-12,16,21,25H,4-7H2,1H3,(H,22,23,24)
InChIKeyLHOOQPWAAHBGGA-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.22
Rot. Bonds5

About 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol

3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol (PubChem CID 70920913) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol.

Molecular Properties

Compound Name3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol
PubChem CID70920913
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol
SMILESCOc1cc(O)cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)c1
InChIInChI=1S/C20H22N4O3/c1-26-18-9-14(8-15(25)10-18)23-20-22-12-13-2-3-17(11-19(13)24-20)27-16-4-6-21-7-5-16/h2-3,8-12,16,21,25H,4-7H2,1H3,(H,22,23,24)
InChIKeyLHOOQPWAAHBGGA-UHFFFAOYSA-N
XLogP3.22
TPSA88.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol?
The IUPAC name of 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol (CID 70920913) is 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol.
What is the SMILES notation for 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol?
The canonical SMILES for 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol is COc1cc(O)cc(Nc2ncc3ccc(OC4CCNCC4)cc3n2)c1.
What is the InChIKey of 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol?
The InChIKey is LHOOQPWAAHBGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-18-9-14(8-15(25)10-18)23-20-22-12-13-2-3-17(11-19(13)24-20)27-16-4-6-21-7-5-16/h2-3,8-12,16,21,25H,4-7H2,1H3,(H,22,23,24).
What are the key properties of 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol?
3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol has a molecular weight of 366.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(7-piperidin-4-yloxyquinazolin-2-yl)amino]phenol is sourced from PubChem (CID 70920913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).