7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine

C22H26N4O2 — CID 69197419

IUPAC7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NC(C)c3ccccc3)c2cc1OC1CCNCC1
InChIInChI=1S/C22H26N4O2/c1-15(16-6-4-3-5-7-16)26-22-18-12-21(28-17-8-10-23-11-9-17)20(27-2)13-19(18)24-14-25-22/h3-7,12-15,17,23H,8-11H2,1-2H3,(H,24,25,26)
InChIKeyCTTXPEPFXYOSHO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.94
Rot. Bonds6

About 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine

7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine (PubChem CID 69197419) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
PubChem CID69197419
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
SMILESCOc1cc2ncnc(NC(C)c3ccccc3)c2cc1OC1CCNCC1
InChIInChI=1S/C22H26N4O2/c1-15(16-6-4-3-5-7-16)26-22-18-12-21(28-17-8-10-23-11-9-17)20(27-2)13-19(18)24-14-25-22/h3-7,12-15,17,23H,8-11H2,1-2H3,(H,24,25,26)
InChIKeyCTTXPEPFXYOSHO-UHFFFAOYSA-N
XLogP3.94
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
CID 67348087
4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexan-1-one
CID 58157263
4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 59158179
3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
CID 59837969
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 59837956
(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone
CID 59837948
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
6,7-dimethoxy-N-(2,2,2-trifluoro-1-phenylethyl)quinazolin-4-amine
CID 18788999
6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 70214730

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine?
The IUPAC name of 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine (CID 69197419) is 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine is COc1cc2ncnc(NC(C)c3ccccc3)c2cc1OC1CCNCC1.
What is the InChIKey of 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine?
The InChIKey is CTTXPEPFXYOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(16-6-4-3-5-7-16)26-22-18-12-21(28-17-8-10-23-11-9-17)20(27-2)13-19(18)24-14-25-22/h3-7,12-15,17,23H,8-11H2,1-2H3,(H,24,25,26).
What are the key properties of 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine?
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine is sourced from PubChem (CID 69197419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).