N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine

C28H28N2 — CID 146492297

IUPACN-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine
SMILESC=C/C=C\C=C(/C)c1cc(C)nc2c(N=C(C)C)c(C(=C)c3ccccc3)ccc12
InChIInChI=1S/C28H28N2/c1-7-8-10-13-20(4)26-18-21(5)30-28-25(26)17-16-24(27(28)29-19(2)3)22(6)23-14-11-9-12-15-23/h7-18H,1,6H2,2-5H3/b10-8-,20-13+
InChIKeyLNTXPXBEEUZSQM-VKIANQOQSA-N
MW392.55 g/mol
LogP7.86
Rot. Bonds6

About N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine

N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine (PubChem CID 146492297) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine
PubChem CID146492297
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC NameN-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine
SMILESC=C/C=C\C=C(/C)c1cc(C)nc2c(N=C(C)C)c(C(=C)c3ccccc3)ccc12
InChIInChI=1S/C28H28N2/c1-7-8-10-13-20(4)26-18-21(5)30-28-25(26)17-16-24(27(28)29-19(2)3)22(6)23-14-11-9-12-15-23/h7-18H,1,6H2,2-5H3/b10-8-,20-13+
InChIKeyLNTXPXBEEUZSQM-VKIANQOQSA-N
XLogP7.86
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methyl-6-phenylpyrimidine
CID 137386271
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]quinoline-2-carboxylic acid
CID 176957739
N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine
CID 155148831
8,9-bis(ethenyl)-12-hexa-2,4-dien-2-yl-5-hexa-1,3,5-trien-2-ylbenzo[10]annulene
CID 123191110
2-[3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]pyridine
CID 88984684
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-[4-[1-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-phenylethyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 130392370
1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene
CID 142381908
7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-16-(16-phenyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 135208579
9-(2,6-diphenyl-4-pyridinyl)-N-(4,6-diphenylpyrimidin-2-yl)-2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]carbazol-1-amine
CID 118321383
4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole
CID 167232170
8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline
CID 144969438

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine?
The IUPAC name of N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine (CID 146492297) is N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine.
What is the SMILES notation for N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine?
The canonical SMILES for N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine is C=C/C=C\C=C(/C)c1cc(C)nc2c(N=C(C)C)c(C(=C)c3ccccc3)ccc12.
What is the InChIKey of N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine?
The InChIKey is LNTXPXBEEUZSQM-VKIANQOQSA-N. The full InChI is InChI=1S/C28H28N2/c1-7-8-10-13-20(4)26-18-21(5)30-28-25(26)17-16-24(27(28)29-19(2)3)22(6)23-14-11-9-12-15-23/h7-18H,1,6H2,2-5H3/b10-8-,20-13+.
What are the key properties of N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine?
N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine has a molecular weight of 392.55 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-methyl-7-(1-phenylethenyl)quinolin-8-yl]propan-2-imine is sourced from PubChem (CID 146492297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).