4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one

C27H33N5O3 — CID 59158179

IUPAC4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCC(N2CCNC(=O)C2)CC1
InChIInChI=1S/C27H33N5O3/c1-18(19-6-4-3-5-7-19)31-27-22-14-25(24(34-2)15-23(22)29-17-30-27)35-21-10-8-20(9-11-21)32-13-12-28-26(33)16-32/h3-7,14-15,17-18,20-21H,8-13,16H2,1-2H3,(H,28,33)(H,29,30,31)/t18-,20?,21?/m1/s1
InChIKeyDWSHIBJOOXDHNC-KMFTYDHNSA-N
MW475.59 g/mol
LogP3.93
Rot. Bonds7

About 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one

4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one (PubChem CID 59158179) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
PubChem CID59158179
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCC(N2CCNC(=O)C2)CC1
InChIInChI=1S/C27H33N5O3/c1-18(19-6-4-3-5-7-19)31-27-22-14-25(24(34-2)15-23(22)29-17-30-27)35-21-10-8-20(9-11-21)32-13-12-28-26(33)16-32/h3-7,14-15,17-18,20-21H,8-13,16H2,1-2H3,(H,28,33)(H,29,30,31)/t18-,20?,21?/m1/s1
InChIKeyDWSHIBJOOXDHNC-KMFTYDHNSA-N
XLogP3.93
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
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-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 24999367
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-[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
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
4-[4-(4-chloro-7-methoxyquinazolin-6-yl)oxycyclohexyl]-1-methylpiperazin-2-one
CID 46832459
4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol
CID 143731414

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one?
The IUPAC name of 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one (CID 59158179) is 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one.
What is the SMILES notation for 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one?
The canonical SMILES for 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one is COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCC(N2CCNC(=O)C2)CC1.
What is the InChIKey of 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one?
The InChIKey is DWSHIBJOOXDHNC-KMFTYDHNSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-18(19-6-4-3-5-7-19)31-27-22-14-25(24(34-2)15-23(22)29-17-30-27)35-21-10-8-20(9-11-21)32-13-12-28-26(33)16-32/h3-7,14-15,17-18,20-21H,8-13,16H2,1-2H3,(H,28,33)(H,29,30,31)/t18-,20?,21?/m1/s1.
What are the key properties of 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one?
4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one has a molecular weight of 475.59 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one is sourced from PubChem (CID 59158179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).