4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one

C23H25N3O3 — CID 67348087

IUPAC4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
SMILESCOc1cc2ncnc(NC(C)c3ccccc3)c2cc1OC1CCC(=O)CC1
InChIInChI=1S/C23H25N3O3/c1-15(16-6-4-3-5-7-16)26-23-19-12-22(29-18-10-8-17(27)9-11-18)21(28-2)13-20(19)24-14-25-23/h3-7,12-15,18H,8-11H2,1-2H3,(H,24,25,26)
InChIKeyXHABZIJCTWDFCP-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.70
Rot. Bonds6

About 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one

4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one (PubChem CID 67348087) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one.

Molecular Properties

Compound Name4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
PubChem CID67348087
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
SMILESCOc1cc2ncnc(NC(C)c3ccccc3)c2cc1OC1CCC(=O)CC1
InChIInChI=1S/C23H25N3O3/c1-15(16-6-4-3-5-7-16)26-23-19-12-22(29-18-10-8-17(27)9-11-18)21(28-2)13-20(19)24-14-25-23/h3-7,12-15,18H,8-11H2,1-2H3,(H,24,25,26)
InChIKeyXHABZIJCTWDFCP-UHFFFAOYSA-N
XLogP4.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexan-1-one
CID 58157263
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
CID 59837969
4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 59158179
[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
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
7-[7-methoxy-4-[1-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 66755705
6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
CID 150898043
2-(2,6-dioxopiperidin-3-yl)-4-[2-[6-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-7-yl]oxyethylamino]isoindole-1,3-dione
CID 171346540

Frequently Asked Questions

What is the IUPAC name of 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one?
The IUPAC name of 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one (CID 67348087) is 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one.
What is the SMILES notation for 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one?
The canonical SMILES for 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one is COc1cc2ncnc(NC(C)c3ccccc3)c2cc1OC1CCC(=O)CC1.
What is the InChIKey of 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one?
The InChIKey is XHABZIJCTWDFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(16-6-4-3-5-7-16)26-23-19-12-22(29-18-10-8-17(27)9-11-18)21(28-2)13-20(19)24-14-25-23/h3-7,12-15,18H,8-11H2,1-2H3,(H,24,25,26).
What are the key properties of 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one?
4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one has a molecular weight of 391.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one is sourced from PubChem (CID 67348087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).