4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol

C26H31F2N5O3 — CID 143731414

IUPAC4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(Nc3cc(F)cc(C)c3F)c2cc1O.O=C1CN(C2CCCCC2)CCN1
InChIInChI=1S/C16H13F2N3O2.C10H18N2O/c1-8-3-9(17)4-12(15(8)18)21-16-10-5-13(22)14(23-2)6-11(10)19-7-20-16;13-10-8-12(7-6-11-10)9-4-2-1-3-5-9/h3-7,22H,1-2H3,(H,19,20,21);9H,1-8H2,(H,11,13)
InChIKeyOOIMHPHQNDJVGB-UHFFFAOYSA-N
MW499.56 g/mol
LogP4.43
Rot. Bonds4

About 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol

4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol (PubChem CID 143731414) has the molecular formula C26H31F2N5O3 and a molecular weight of 499.56 g/mol. Its IUPAC name is 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol
PubChem CID143731414
Molecular FormulaC26H31F2N5O3
Molecular Weight499.56 g/mol
Exact Mass499.24
IUPAC Name4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(Nc3cc(F)cc(C)c3F)c2cc1O.O=C1CN(C2CCCCC2)CCN1
InChIInChI=1S/C16H13F2N3O2.C10H18N2O/c1-8-3-9(17)4-12(15(8)18)21-16-10-5-13(22)14(23-2)6-11(10)19-7-20-16;13-10-8-12(7-6-11-10)9-4-2-1-3-5-9/h3-7,22H,1-2H3,(H,19,20,21);9H,1-8H2,(H,11,13)
InChIKeyOOIMHPHQNDJVGB-UHFFFAOYSA-N
XLogP4.43
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 24999367
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;1-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 143731452
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;(2S)-1-cyclohexylpiperidine-2-carboxamide
CID 143731447
4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 59158179
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexane;methylcyclohexane
CID 143731396
4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
CID 135549384
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexan-3-ol;methylcyclohexane
CID 143731387
N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
CID 68750156
4-[1-(4-fluorophenyl)ethylamino]-7-methoxyquinazolin-6-ol
CID 66755493
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;(3S)-3-methoxyhexane;methylcyclohexane
CID 143731431
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;N,N-dimethylacetamide;(3S)-hexan-3-ol;methylcyclohexane
CID 143731360

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol?
The IUPAC name of 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol (CID 143731414) is 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol.
What is the SMILES notation for 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol?
The canonical SMILES for 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol is COc1cc2ncnc(Nc3cc(F)cc(C)c3F)c2cc1O.O=C1CN(C2CCCCC2)CCN1.
What is the InChIKey of 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol?
The InChIKey is OOIMHPHQNDJVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2.C10H18N2O/c1-8-3-9(17)4-12(15(8)18)21-16-10-5-13(22)14(23-2)6-11(10)19-7-20-16;13-10-8-12(7-6-11-10)9-4-2-1-3-5-9/h3-7,22H,1-2H3,(H,19,20,21);9H,1-8H2,(H,11,13).
What are the key properties of 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol?
4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol has a molecular weight of 499.56 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpiperazin-2-one;4-(2,5-difluoro-3-methylanilino)-7-methoxyquinazolin-6-ol is sourced from PubChem (CID 143731414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).