(Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline

C32H28N2O — CID 142619051

IUPAC(Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline
SMILESC/C=C(\C)c1nc(-c2cccc3c2ccc2c4ccccc4oc32)c2ccccc2n1.C/C=C\C
InChIInChI=1S/C28H20N2O.C4H8/c1-3-17(2)28-29-24-13-6-4-10-23(24)26(30-28)20-11-8-12-21-18(20)15-16-22-19-9-5-7-14-25(19)31-27(21)22;1-3-4-2/h3-16H,1-2H3;3-4H,1-2H3/b17-3+;4-3-
InChIKeyLMENGVHVRCKBHZ-DKBWYRQISA-N
MW456.59 g/mol
LogP9.35
Rot. Bonds2

About (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline

(Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline (PubChem CID 142619051) has the molecular formula C32H28N2O and a molecular weight of 456.59 g/mol. Its IUPAC name is (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline.

Molecular Properties

Compound Name(Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline
PubChem CID142619051
Molecular FormulaC32H28N2O
Molecular Weight456.59 g/mol
Exact Mass456.22
IUPAC Name(Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline
SMILESC/C=C(\C)c1nc(-c2cccc3c2ccc2c4ccccc4oc32)c2ccccc2n1.C/C=C\C
InChIInChI=1S/C28H20N2O.C4H8/c1-3-17(2)28-29-24-13-6-4-10-23(24)26(30-28)20-11-8-12-21-18(20)15-16-22-19-9-5-7-14-25(19)31-27(21)22;1-3-4-2/h3-16H,1-2H3;3-4H,1-2H3/b17-3+;4-3-
InChIKeyLMENGVHVRCKBHZ-DKBWYRQISA-N
XLogP9.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline with MolForge

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Related Compounds

2-chloro-4-dibenzofuran-4-ylquinazoline
CID 89282885
2-chloro-4-naphtho[1,2-b][1]benzofuran-5-ylquinazoline
CID 147143483
6-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-4-yl)phenanthridine
CID 134237839
2-chloro-4-dibenzofuran-1-ylquinazoline
CID 126536609
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433
2-phenyl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)quinazoline
CID 176818481
3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098
22-(4-dibenzofuran-4-ylnaphthalen-1-yl)-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129303493
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
CID 159945205

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline?
The IUPAC name of (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline (CID 142619051) is (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline.
What is the SMILES notation for (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline?
The canonical SMILES for (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline is C/C=C(\C)c1nc(-c2cccc3c2ccc2c4ccccc4oc32)c2ccccc2n1.C/C=C\C.
What is the InChIKey of (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline?
The InChIKey is LMENGVHVRCKBHZ-DKBWYRQISA-N. The full InChI is InChI=1S/C28H20N2O.C4H8/c1-3-17(2)28-29-24-13-6-4-10-23(24)26(30-28)20-11-8-12-21-18(20)15-16-22-19-9-5-7-14-25(19)31-27(21)22;1-3-4-2/h3-16H,1-2H3;3-4H,1-2H3/b17-3+;4-3-.
What are the key properties of (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline?
(Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline has a molecular weight of 456.59 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;2-[(E)-but-2-en-2-yl]-4-naphtho[1,2-b][1]benzofuran-4-ylquinazoline is sourced from PubChem (CID 142619051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).