N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

C23H21N3S — CID 143597653

IUPACN-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESC=C/C=C(\C=C)C(Nc1ncnc2ccc3c(c12)CCS3)c1ccccc1
InChIInChI=1S/C23H21N3S/c1-3-8-16(4-2)22(17-9-6-5-7-10-17)26-23-21-18-13-14-27-20(18)12-11-19(21)24-15-25-23/h3-12,15,22H,1-2,13-14H2,(H,24,25,26)/b16-8+
InChIKeyRUKJXHQYPSIVHW-LZYBPNLTSA-N
MW371.51 g/mol
LogP5.73
Rot. Bonds6

About N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine

N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (PubChem CID 143597653) has the molecular formula C23H21N3S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.

Molecular Properties

Compound NameN-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
PubChem CID143597653
Molecular FormulaC23H21N3S
Molecular Weight371.51 g/mol
Exact Mass371.15
IUPAC NameN-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
SMILESC=C/C=C(\C=C)C(Nc1ncnc2ccc3c(c12)CCS3)c1ccccc1
InChIInChI=1S/C23H21N3S/c1-3-8-16(4-2)22(17-9-6-5-7-10-17)26-23-21-18-13-14-27-20(18)12-11-19(21)24-15-25-23/h3-12,15,22H,1-2,13-14H2,(H,24,25,26)/b16-8+
InChIKeyRUKJXHQYPSIVHW-LZYBPNLTSA-N
XLogP5.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The IUPAC name of N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine (CID 143597653) is N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine.
What is the SMILES notation for N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The canonical SMILES for N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is C=C/C=C(\C=C)C(Nc1ncnc2ccc3c(c12)CCS3)c1ccccc1.
What is the InChIKey of N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
The InChIKey is RUKJXHQYPSIVHW-LZYBPNLTSA-N. The full InChI is InChI=1S/C23H21N3S/c1-3-8-16(4-2)22(17-9-6-5-7-10-17)26-23-21-18-13-14-27-20(18)12-11-19(21)24-15-25-23/h3-12,15,22H,1-2,13-14H2,(H,24,25,26)/b16-8+.
What are the key properties of N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine?
N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine has a molecular weight of 371.51 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine is sourced from PubChem (CID 143597653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).