N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine

C18H23N3 — CID 142584876

IUPACN-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine
SMILESC/C=C(\C/C(C)=C/CC)c1ccc2cnc(NC)nc2c1
InChIInChI=1S/C18H23N3/c1-5-7-13(3)10-14(6-2)15-8-9-16-12-20-18(19-4)21-17(16)11-15/h6-9,11-12H,5,10H2,1-4H3,(H,19,20,21)/b13-7+,14-6+
InChIKeyQTYIRHZCVMARST-CAZMDNNUSA-N
MW281.40 g/mol
LogP4.82
Rot. Bonds5

About N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine

N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine (PubChem CID 142584876) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine
PubChem CID142584876
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine
SMILESC/C=C(\C/C(C)=C/CC)c1ccc2cnc(NC)nc2c1
InChIInChI=1S/C18H23N3/c1-5-7-13(3)10-14(6-2)15-8-9-16-12-20-18(19-4)21-17(16)11-15/h6-9,11-12H,5,10H2,1-4H3,(H,19,20,21)/b13-7+,14-6+
InChIKeyQTYIRHZCVMARST-CAZMDNNUSA-N
XLogP4.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine?
The IUPAC name of N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine (CID 142584876) is N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine.
What is the SMILES notation for N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine?
The canonical SMILES for N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine is C/C=C(\C/C(C)=C/CC)c1ccc2cnc(NC)nc2c1.
What is the InChIKey of N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine?
The InChIKey is QTYIRHZCVMARST-CAZMDNNUSA-N. The full InChI is InChI=1S/C18H23N3/c1-5-7-13(3)10-14(6-2)15-8-9-16-12-20-18(19-4)21-17(16)11-15/h6-9,11-12H,5,10H2,1-4H3,(H,19,20,21)/b13-7+,14-6+.
What are the key properties of N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine?
N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine has a molecular weight of 281.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine is sourced from PubChem (CID 142584876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).