(Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine

C32H24N4 — CID 142370808

IUPAC(Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine
SMILESC=C(/N=C/C=C\C)c1ccc(-c2ccc3ccc(-c4cccc5c6ccccc6nn45)nc3c2)cc1
InChIInChI=1S/C32H24N4/c1-3-4-20-33-22(2)23-12-14-24(15-13-23)26-17-16-25-18-19-29(34-30(25)21-26)32-11-7-10-31-27-8-5-6-9-28(27)35-36(31)32/h3-21H,2H2,1H3/b4-3-,33-20+
InChIKeyUSPRSIAOZRXSSL-TZEOGGCISA-N
MW464.57 g/mol
LogP7.99
Rot. Bonds5

About (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine

(Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine (PubChem CID 142370808) has the molecular formula C32H24N4 and a molecular weight of 464.57 g/mol. Its IUPAC name is (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine
PubChem CID142370808
Molecular FormulaC32H24N4
Molecular Weight464.57 g/mol
Exact Mass464.20
IUPAC Name(Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine
SMILESC=C(/N=C/C=C\C)c1ccc(-c2ccc3ccc(-c4cccc5c6ccccc6nn45)nc3c2)cc1
InChIInChI=1S/C32H24N4/c1-3-4-20-33-22(2)23-12-14-24(15-13-23)26-17-16-25-18-19-29(34-30(25)21-26)32-11-7-10-31-27-8-5-6-9-28(27)35-36(31)32/h3-21H,2H2,1H3/b4-3-,33-20+
InChIKeyUSPRSIAOZRXSSL-TZEOGGCISA-N
XLogP7.99
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine with MolForge

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Related Compounds

7-(7-naphthalen-2-ylquinolin-2-yl)pyrido[1,2-b]indazole
CID 142370838
7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole
CID 142370868
9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
10-[4-[7-[(1Z,3Z)-penta-1,3-dienyl]quinolin-2-yl]phenyl]-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 89441434
3,6-diphenyl-9-(3-quinolin-2-ylphenyl)carbazole
CID 170191453
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
CID 118067290
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline;9-[3-[2-phenyl-6-[4-[2-(2-pyridin-2-ylquinolin-7-yl)quinolin-7-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 165109992
2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
CID 158235124
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
9-phenyl-3-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
CID 168797176
N-[(1Z,3E)-3-[4-[2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinolin-4-yl]phenyl]penta-1,3-dienyl]methanimine
CID 126588239
(1Z,3Z)-5-[4-(9-phenylcarbazol-3-yl)phenyl]hexa-1,3,5-trien-1-amine
CID 129022099

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine (CID 142370808) is (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine is C=C(/N=C/C=C\C)c1ccc(-c2ccc3ccc(-c4cccc5c6ccccc6nn45)nc3c2)cc1.
What is the InChIKey of (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine?
The InChIKey is USPRSIAOZRXSSL-TZEOGGCISA-N. The full InChI is InChI=1S/C32H24N4/c1-3-4-20-33-22(2)23-12-14-24(15-13-23)26-17-16-25-18-19-29(34-30(25)21-26)32-11-7-10-31-27-8-5-6-9-28(27)35-36(31)32/h3-21H,2H2,1H3/b4-3-,33-20+.
What are the key properties of (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine?
(Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine has a molecular weight of 464.57 g/mol, XLogP of 7.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine is sourced from PubChem (CID 142370808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).