6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine

C22H19F2N3 — CID 144501057

IUPAC6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine
SMILESC=C/C=C(\C=C/C)c1nc(NC)c2cc(-c3ccc(F)cc3F)ccc2n1
InChIInChI=1S/C22H19F2N3/c1-4-6-14(7-5-2)21-26-20-11-8-15(12-18(20)22(25-3)27-21)17-10-9-16(23)13-19(17)24/h4-13H,1H2,2-3H3,(H,25,26,27)/b7-5-,14-6+
InChIKeyMNTHZGMJJRGVOQ-CYMBIFCZSA-N
MW363.41 g/mol
LogP5.76
Rot. Bonds5

About 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine

6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine (PubChem CID 144501057) has the molecular formula C22H19F2N3 and a molecular weight of 363.41 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine
PubChem CID144501057
Molecular FormulaC22H19F2N3
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine
SMILESC=C/C=C(\C=C/C)c1nc(NC)c2cc(-c3ccc(F)cc3F)ccc2n1
InChIInChI=1S/C22H19F2N3/c1-4-6-14(7-5-2)21-26-20-11-8-15(12-18(20)22(25-3)27-21)17-10-9-16(23)13-19(17)24/h4-13H,1H2,2-3H3,(H,25,26,27)/b7-5-,14-6+
InChIKeyMNTHZGMJJRGVOQ-CYMBIFCZSA-N
XLogP5.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine with MolForge

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Related Compounds

Spautin-1
CID 51037431
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
Importazole
CID 2949965
Senexin A
CID 56927063
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-Methyl-2-quinazolinamine
CID 269325

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine (CID 144501057) is 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine is C=C/C=C(\C=C/C)c1nc(NC)c2cc(-c3ccc(F)cc3F)ccc2n1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine?
The InChIKey is MNTHZGMJJRGVOQ-CYMBIFCZSA-N. The full InChI is InChI=1S/C22H19F2N3/c1-4-6-14(7-5-2)21-26-20-11-8-15(12-18(20)22(25-3)27-21)17-10-9-16(23)13-19(17)24/h4-13H,1H2,2-3H3,(H,25,26,27)/b7-5-,14-6+.
What are the key properties of 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine?
6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine has a molecular weight of 363.41 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 144501057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).