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N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine

C45H38N4 — CID 142352651

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
SMILESC=CC1=C(N=C)N(c2ccccc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6ccc(/C=C\C)c(N=C)c6n5)c4)cc3)cc2C1(C)C
InChIInChI=1S/C45H38N4/c1-7-13-32-22-23-33-24-26-40(48-43(33)42(32)46-5)36-15-12-14-34(28-36)30-18-20-31(21-19-30)35-25-27-41-39(29-35)45(3,4)38(8-2)44(47-6)49(41)37-16-10-9-11-17-37/h7-29H,2,5-6H2,1,3-4H3/b13-7-
InChIKeyBIFXDOUIGNAAKH-QPEQYQDCSA-N
MW634.83 g/mol
LogP12.13
Rot. Bonds8

About N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine

N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine (PubChem CID 142352651) has the molecular formula C45H38N4 and a molecular weight of 634.83 g/mol. Its IUPAC name is N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine.

Molecular Properties

Compound NameN-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
PubChem CID142352651
Molecular FormulaC45H38N4
Molecular Weight634.83 g/mol
Exact Mass634.31
IUPAC NameN-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
SMILESC=CC1=C(N=C)N(c2ccccc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6ccc(/C=C\C)c(N=C)c6n5)c4)cc3)cc2C1(C)C
InChIInChI=1S/C45H38N4/c1-7-13-32-22-23-33-24-26-40(48-43(33)42(32)46-5)36-15-12-14-34(28-36)30-18-20-31(21-19-30)35-25-27-41-39(29-35)45(3,4)38(8-2)44(47-6)49(41)37-16-10-9-11-17-37/h7-29H,2,5-6H2,1,3-4H3/b13-7-
InChIKeyBIFXDOUIGNAAKH-QPEQYQDCSA-N
XLogP12.13
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.83
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine?
The IUPAC name of N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine (CID 142352651) is N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine.
What is the SMILES notation for N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine?
The canonical SMILES for N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine is C=CC1=C(N=C)N(c2ccccc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6ccc(/C=C\C)c(N=C)c6n5)c4)cc3)cc2C1(C)C.
What is the InChIKey of N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine?
The InChIKey is BIFXDOUIGNAAKH-QPEQYQDCSA-N. The full InChI is InChI=1S/C45H38N4/c1-7-13-32-22-23-33-24-26-40(48-43(33)42(32)46-5)36-15-12-14-34(28-36)30-18-20-31(21-19-30)35-25-27-41-39(29-35)45(3,4)38(8-2)44(47-6)49(41)37-16-10-9-11-17-37/h7-29H,2,5-6H2,1,3-4H3/b13-7-.
What are the key properties of N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine?
N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine has a molecular weight of 634.83 g/mol, XLogP of 12.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine is sourced from PubChem (CID 142352651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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