N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide

C27H34N6O2 — CID 169158157

IUPACN-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2cccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)CC1
InChIInChI=1S/C27H34N6O2/c1-19(34)29-21-8-12-24(13-9-21)35-25-5-3-4-20-18-28-27(31-26(20)25)30-22-6-10-23(11-7-22)33-16-14-32(2)15-17-33/h3-7,10-11,18,21,24H,8-9,12-17H2,1-2H3,(H,29,34)(H,28,30,31)
InChIKeyVMCQIVFCMXXACP-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide

N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide (PubChem CID 169158157) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
PubChem CID169158157
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Oc2cccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)CC1
InChIInChI=1S/C27H34N6O2/c1-19(34)29-21-8-12-24(13-9-21)35-25-5-3-4-20-18-28-27(31-26(20)25)30-22-6-10-23(11-7-22)33-16-14-32(2)15-17-33/h3-7,10-11,18,21,24H,8-9,12-17H2,1-2H3,(H,29,34)(H,28,30,31)
InChIKeyVMCQIVFCMXXACP-UHFFFAOYSA-N
XLogP3.95
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
4-(cyclobutylamino)-N-(2-methoxy-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 169088851
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-propan-2-yl-2-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]acetamide
CID 67102543
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
CID 67102421
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
2-(methylamino)-6-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]benzaldehyde
CID 138463164
4-(cyclopentylamino)-N-(2,6-dimethylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 169088908
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 169158099
N-[2-[4-(4-cyclopropylpiperazin-1-yl)anilino]quinazolin-8-yl]-4-methoxycyclohexane-1-carboxamide
CID 169158059

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide?
The IUPAC name of N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide (CID 169158157) is N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide is CC(=O)NC1CCC(Oc2cccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)CC1.
What is the InChIKey of N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide?
The InChIKey is VMCQIVFCMXXACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-19(34)29-21-8-12-24(13-9-21)35-25-5-3-4-20-18-28-27(31-26(20)25)30-22-6-10-23(11-7-22)33-16-14-32(2)15-17-33/h3-7,10-11,18,21,24H,8-9,12-17H2,1-2H3,(H,29,34)(H,28,30,31).
What are the key properties of N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide?
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide has a molecular weight of 474.61 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide is sourced from PubChem (CID 169158157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).