N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine

C23H29N3O — CID 20545344

IUPACN-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
SMILESCc1ccc(OCCCCCCCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C23H29N3O/c1-19-12-14-20(15-13-19)27-17-9-5-3-2-4-8-16-24-23-21-10-6-7-11-22(21)25-18-26-23/h6-7,10-15,18H,2-5,8-9,16-17H2,1H3,(H,24,25,26)
InChIKeyCUGZDLBRLMFXTP-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.77
Rot. Bonds11

About N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine

N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine (PubChem CID 20545344) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
PubChem CID20545344
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
SMILESCc1ccc(OCCCCCCCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C23H29N3O/c1-19-12-14-20(15-13-19)27-17-9-5-3-2-4-8-16-24-23-21-10-6-7-11-22(21)25-18-26-23/h6-7,10-15,18H,2-5,8-9,16-17H2,1H3,(H,24,25,26)
InChIKeyCUGZDLBRLMFXTP-UHFFFAOYSA-N
XLogP5.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine?
The IUPAC name of N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine (CID 20545344) is N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine.
What is the SMILES notation for N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine?
The canonical SMILES for N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine is Cc1ccc(OCCCCCCCCNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine?
The InChIKey is CUGZDLBRLMFXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-19-12-14-20(15-13-19)27-17-9-5-3-2-4-8-16-24-23-21-10-6-7-11-22(21)25-18-26-23/h6-7,10-15,18H,2-5,8-9,16-17H2,1H3,(H,24,25,26).
What are the key properties of N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine?
N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine has a molecular weight of 363.51 g/mol, XLogP of 5.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine is sourced from PubChem (CID 20545344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).