7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine

C20H25N3 — CID 142584289

IUPAC7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine
SMILESC=C(C)Nc1ncc2ccc(/C(=C/C)C/C(C)=C/CC)cc2n1
InChIInChI=1S/C20H25N3/c1-6-8-15(5)11-16(7-2)17-9-10-18-13-21-20(22-14(3)4)23-19(18)12-17/h7-10,12-13H,3,6,11H2,1-2,4-5H3,(H,21,22,23)/b15-8+,16-7+
InChIKeyDROILATYNQETJM-ANSQBLEFSA-N
MW307.44 g/mol
LogP5.72
Rot. Bonds6

About 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine

7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine (PubChem CID 142584289) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine
PubChem CID142584289
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine
SMILESC=C(C)Nc1ncc2ccc(/C(=C/C)C/C(C)=C/CC)cc2n1
InChIInChI=1S/C20H25N3/c1-6-8-15(5)11-16(7-2)17-9-10-18-13-21-20(22-14(3)4)23-19(18)12-17/h7-10,12-13H,3,6,11H2,1-2,4-5H3,(H,21,22,23)/b15-8+,16-7+
InChIKeyDROILATYNQETJM-ANSQBLEFSA-N
XLogP5.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine with MolForge

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Related Compounds

N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine
CID 142584876
N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide
CID 142584586
N-[7-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]quinazolin-2-yl]formamide;N,N,4-trimethylcyclohexan-1-amine
CID 142583531
N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine
CID 155032361
3-[(E)-5-methylidenehept-2-en-3-yl]-N-prop-1-en-2-ylaniline
CID 137400657
2-[[(1R)-1-cyclopropylethyl]amino]quinazoline-7-carboxamide
CID 144524423
7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine
CID 89403812
2-tert-butyl-7-(3,3-dimethylbut-1-en-2-yl)quinazoline
CID 160630489
N-pyrido[3,4-d]pyrimidin-2-ylacetamide
CID 67452729
1-[4-[(E)-2-methylpent-2-enyl]phenyl]ethenamine;prop-1-ene
CID 142910049
2-N-methylquinazoline-2,7-diamine
CID 163482981
7-[(Z)-1-[[(E)-but-1-enyl]-methylamino]prop-1-enyl]-N-methylquinazolin-2-amine;2-(4-fluorophenyl)-2,2-dihydroxyacetaldehyde
CID 142583731

Frequently Asked Questions

What is the IUPAC name of 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine?
The IUPAC name of 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine (CID 142584289) is 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine.
What is the SMILES notation for 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine?
The canonical SMILES for 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine is C=C(C)Nc1ncc2ccc(/C(=C/C)C/C(C)=C/CC)cc2n1.
What is the InChIKey of 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine?
The InChIKey is DROILATYNQETJM-ANSQBLEFSA-N. The full InChI is InChI=1S/C20H25N3/c1-6-8-15(5)11-16(7-2)17-9-10-18-13-21-20(22-14(3)4)23-19(18)12-17/h7-10,12-13H,3,6,11H2,1-2,4-5H3,(H,21,22,23)/b15-8+,16-7+.
What are the key properties of 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine?
7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine has a molecular weight of 307.44 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine is sourced from PubChem (CID 142584289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).